data_1wev_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 1wev _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.468 HD13 ' CG ' ' A' ' 25' ' ' MET . 4.6 pp . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.831 0.348 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -101.36 149.89 23.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.471 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.7 p -62.43 -179.32 0.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.545 HG12 ' CZ ' ' A' ' 43' ' ' TYR . 0.8 OUTLIER -104.09 -17.48 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.481 ' CB ' ' HB3' ' A' ' 47' ' ' CYS . 95.3 t -69.54 -75.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.092 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.1 p -91.71 -12.25 34.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.1 mtp180 62.46 54.79 2.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 -132.44 175.07 9.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.468 ' CG ' HD13 ' A' ' 17' ' ' LEU . 2.5 mpp? -118.14 -11.96 10.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.0 m -51.2 122.68 8.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.6 m -137.69 165.89 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.1 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.849 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.877 0.37 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.565 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 12.7 mt -109.16 156.52 19.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.53 HG13 ' CD2' ' A' ' 64' ' ' TRP . 4.7 t -137.47 151.82 26.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.059 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -120.98 126.42 49.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 23.1 t -71.31 161.9 30.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.513 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 25.8 mm-40 -98.78 -26.65 14.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.78 -70.57 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.9 p -73.08 -22.79 60.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 62.66 34.39 14.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -100.21 151.24 21.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.471 ' CB ' ' HA ' ' A' ' 19' ' ' CYS . 55.7 mt -85.1 129.87 34.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.545 ' CZ ' HG12 ' A' ' 20' ' ' VAL . 29.7 m-85 -134.14 114.4 13.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.565 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.6 m80 -60.01 124.39 20.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.852 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 44' ' ' HIS . 12.1 mt-30 -35.58 -30.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 44' ' ' HIS . 39.6 t0 -90.23 -64.85 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.481 ' HB3' ' CB ' ' A' ' 21' ' ' VAL . 86.2 m -36.38 -39.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -63.55 155.02 30.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.608 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 2.5 mtpt -60.44 -68.43 0.78 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.602 0.715 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.608 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.3 Cg_endo -69.81 107.6 1.9 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.717 2.278 . . . . 0.0 112.322 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -46.6 101.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 19.5 t -74.26 134.54 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.404 ' O ' ' OE1' ' A' ' 45' ' ' GLN . 35.1 p -89.89 158.79 17.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.428 ' O ' ' CG2' ' A' ' 57' ' ' VAL . 11.1 t0 -63.9 -35.54 80.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.849 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -64.79 -39.55 93.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -59.22 -54.52 45.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.463 HG23 ' N ' ' A' ' 58' ' ' ASN . 23.0 m -56.74 -37.74 54.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.463 ' N ' HG23 ' A' ' 57' ' ' VAL . 47.2 m-20 -65.3 -47.43 76.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -42.04 102.31 0.27 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.641 0.734 . . . . 0.0 110.83 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -27.79 25.86 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.666 2.244 . . . . 0.0 112.351 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -100.18 25.65 7.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.9 tp -106.47 137.06 45.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.965 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.7 p -99.19 101.81 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.53 ' CD2' HG13 ' A' ' 34' ' ' VAL . 12.4 t90 -89.24 133.12 34.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.513 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 10.1 m-85 -134.02 117.8 17.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.2 p -65.57 144.17 57.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -39.32 -56.19 1.59 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.069 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 67' ' ' ALA . 13.3 mmt180 -35.1 -38.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 88.7 m -88.29 -50.78 6.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 34.2 m . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 -179.922 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.447 ' C ' ' CD1' ' A' ' 42' ' ' LEU . 4.6 pp . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.818 0.342 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.08 151.13 21.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.08 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.484 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -64.67 -177.38 0.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.53 HG11 ' CZ ' ' A' ' 43' ' ' TYR . 0.4 OUTLIER -104.77 -18.96 6.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.466 ' CB ' ' HB3' ' A' ' 47' ' ' CYS . 86.0 t -67.42 -76.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.0 p -92.24 -6.62 50.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.466 ' HD2' ' N ' ' A' ' 23' ' ' ARG . 2.4 mpt_? 56.12 55.05 7.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -134.98 -179.49 5.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 37.9 mtm -122.95 -8.93 8.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.2 m -53.15 118.25 3.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.9 m -132.18 -176.14 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.081 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.08 179.872 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.47 ' HB2' ' NE2' ' A' ' 45' ' ' GLN . 14.5 mm100 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.825 0.345 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.578 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 4.9 mt -103.61 152.81 21.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.579 HG11 ' CE3' ' A' ' 64' ' ' TRP . 21.2 t -128.53 158.1 40.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -128.66 130.46 47.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.9 t -75.61 162.32 28.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.543 ' N ' ' CD ' ' A' ' 37' ' ' GLN . 1.7 mm100 -98.89 -29.15 13.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -86.52 -70.05 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.6 p -72.93 -24.02 60.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 62.48 36.35 14.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.827 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -102.48 145.46 29.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.484 ' CB ' ' HA ' ' A' ' 19' ' ' CYS . 42.4 mt -80.05 129.92 34.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.53 ' CZ ' HG11 ' A' ' 20' ' ' VAL . 28.8 m-85 -133.48 114.62 13.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.578 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.9 m80 -58.68 123.63 17.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.807 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.47 ' NE2' ' HB2' ' A' ' 32' ' ' GLN . 88.0 mt-30 -34.98 -31.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 44' ' ' HIS . 14.3 t70 -89.45 -63.55 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.466 ' HB3' ' CB ' ' A' ' 21' ' ' VAL . 79.8 m -36.07 -42.65 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -60.04 156.56 14.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.603 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 21.6 mtmt -60.54 -68.88 0.66 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.538 0.685 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.603 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 54.0 Cg_endo -69.75 111.0 2.69 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.714 2.276 . . . . 0.0 112.38 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -47.1 102.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.2 t -79.18 133.29 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 74.4 p -105.11 165.6 10.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 55' ' ' LYS . 11.0 m-20 -57.66 -53.54 57.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.466 ' N ' ' HD3' ' A' ' 55' ' ' LYS . 6.9 mmtt -33.73 -44.08 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -64.11 -74.03 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.2 m -42.14 -35.24 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.113 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 38.8 m-20 -63.7 -46.81 83.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -56.47 109.2 1.53 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.624 0.726 . . . . 0.0 110.839 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -41.47 4.24 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.66 2.24 . . . . 0.0 112.396 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -86.9 30.17 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.5 tp -108.17 130.99 55.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.441 HG21 ' CE2' ' A' ' 65' ' ' TYR . 10.0 p -95.97 103.15 14.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.579 ' CE3' HG11 ' A' ' 34' ' ' VAL . 27.2 t90 -89.13 131.37 35.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.441 ' CE2' HG21 ' A' ' 63' ' ' VAL . 18.2 m-85 -128.03 126.53 41.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 67' ' ' ALA . 15.8 p -77.6 142.4 38.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -36.62 -55.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 67' ' ' ALA . 19.7 mmt-85 -34.36 -43.11 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 88.4 m -83.39 -48.31 10.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.9 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.756 0.313 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 24' ' ' GLN . . . -103.92 142.96 33.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.47 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.4 p -58.91 -179.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.552 HG13 ' CZ ' ' A' ' 43' ' ' TYR . 0.8 OUTLIER -103.86 -15.61 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 179.861 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.464 ' CB ' ' HB3' ' A' ' 47' ' ' CYS . 99.8 t -70.79 -75.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.104 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.3 p -90.83 -14.14 32.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.6 mtp85 64.05 54.9 1.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.405 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 37.3 mt-30 -134.87 172.76 12.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.5 mtm -114.94 -7.16 12.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 99.7 m -54.63 129.41 36.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.8 m -144.94 175.49 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.175 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 179.892 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.8 0.333 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.574 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 9.7 mt -105.72 166.35 10.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.571 HG13 ' CE3' ' A' ' 64' ' ' TRP . 14.5 t -145.55 149.24 16.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -119.97 126.62 51.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 35.9 t -71.58 162.86 28.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.534 ' N ' ' CD ' ' A' ' 37' ' ' GLN . 1.8 mm100 -99.07 -28.85 13.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -87.6 -70.28 0.64 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.5 p -73.03 -22.0 60.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 61.63 31.43 18.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -97.33 148.94 22.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.47 ' CB ' ' HA ' ' A' ' 19' ' ' CYS . 72.2 mt -84.21 129.57 34.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.552 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 33.2 m-85 -134.4 114.4 12.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.574 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.5 m80 -59.27 124.37 19.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 44' ' ' HIS . 16.2 mt-30 -34.92 -31.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 44' ' ' HIS . 24.9 t70 -89.98 -65.28 1.03 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.464 ' HB3' ' CB ' ' A' ' 21' ' ' VAL . 92.8 m -35.05 -39.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.419 ' O ' ' O ' ' A' ' 46' ' ' ASP . 2.1 t-80 -63.24 153.7 33.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.604 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 10.3 mptt -58.61 -68.37 0.72 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.634 0.73 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.604 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.9 Cg_endo -69.73 112.19 3.01 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.672 2.248 . . . . 0.0 112.366 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -49.62 100.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 33.1 t -77.8 130.53 36.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.9 p -96.4 163.09 13.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -63.2 -48.5 78.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -42.41 -25.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.443 ' O ' ' CD2' ' A' ' 62' ' ' LEU . 38.2 mt-10 -81.81 -69.9 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 19.0 m -50.8 -27.05 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.181 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -65.02 -38.41 90.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 62' ' ' LEU . 8.6 t70 -61.57 117.86 31.89 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.628 0.728 . . . . 0.0 110.823 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -37.15 9.77 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -101.81 38.2 1.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.505 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 1.9 tp -106.79 123.31 47.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.487 HG23 ' CE2' ' A' ' 65' ' ' TYR . 11.0 p -85.72 109.47 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.571 ' CE3' HG13 ' A' ' 34' ' ' VAL . 28.2 t90 -99.87 129.42 45.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.487 ' CE2' HG23 ' A' ' 63' ' ' VAL . 19.3 m-85 -124.43 120.08 31.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 67' ' ' ALA . 15.9 p -74.64 141.22 44.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.482 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -33.54 -59.57 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.482 ' C ' ' O ' ' A' ' 67' ' ' ALA . 15.5 mmt180 -30.68 -45.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 83.9 m -83.86 -49.56 8.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.2 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.49 ' O ' ' CD1' ' A' ' 33' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.796 0.331 . . . . 0.0 110.875 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.436 ' O ' ' CD1' ' A' ' 42' ' ' LEU . . . -124.0 144.97 49.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.458 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -69.55 -177.92 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.518 HG12 ' CZ ' ' A' ' 43' ' ' TYR . 1.0 OUTLIER -104.73 -21.26 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.471 ' CB ' ' HB3' ' A' ' 47' ' ' CYS . 88.1 t -64.37 -75.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.427 ' C ' ' HD3' ' A' ' 23' ' ' ARG . 16.7 p -91.06 -6.07 54.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.427 ' HD3' ' C ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER 55.38 54.44 8.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -134.9 172.94 12.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -114.21 -15.74 12.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.0 m -44.15 123.85 3.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.4 m -140.56 175.91 5.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.865 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.471 ' HB2' ' NE2' ' A' ' 45' ' ' GLN . 21.5 mt-30 . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.824 0.345 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.574 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 10.1 mt -97.27 160.59 14.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.574 HG13 ' CE3' ' A' ' 64' ' ' TRP . 22.0 t -140.35 160.94 25.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -134.07 134.29 42.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.404 ' SG ' ' N ' ' A' ' 37' ' ' GLN . 42.8 t -79.08 163.24 25.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.489 ' O ' ' CD2' ' A' ' 40' ' ' HIS . 11.4 mm-40 -97.57 -35.85 10.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -80.49 -69.65 0.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.29 -26.75 63.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.489 ' CD2' ' O ' ' A' ' 37' ' ' GLN . 34.2 m-70 63.14 39.58 9.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -106.7 150.18 26.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.458 ' CB ' ' HA ' ' A' ' 19' ' ' CYS . 52.8 mt -84.99 127.18 34.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.518 ' CZ ' HG12 ' A' ' 20' ' ' VAL . 30.2 m-85 -132.98 116.62 16.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.574 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.7 m80 -59.67 129.22 40.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.889 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.471 ' NE2' ' HB2' ' A' ' 32' ' ' GLN . 63.2 mt-30 -39.66 -25.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 44' ' ' HIS . 0.6 OUTLIER -97.16 -64.74 1.01 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.471 ' HB3' ' CB ' ' A' ' 21' ' ' VAL . 95.3 m -36.62 -40.42 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.552 ' CE1' ' HA ' ' A' ' 66' ' ' CYS . 1.9 t-80 -62.6 157.13 21.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.594 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 4.1 mptp? -59.92 -68.09 0.85 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.521 0.676 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.594 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 54.0 Cg_endo -69.75 109.51 2.33 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.72 2.28 . . . . 0.0 112.34 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -50.02 101.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.7 t -82.82 136.54 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 46.1 p -98.25 169.02 9.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 55' ' ' LYS . 8.5 p-10 -71.66 -57.85 4.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 54' ' ' ASP . 10.8 ttmt -35.24 -36.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 54' ' ' ASP . 23.1 mm-40 -77.14 -60.56 2.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -45.96 -29.95 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 59' ' ' ASP . 50.2 m-20 -64.04 -54.78 28.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.46 ' HB3' ' CB ' ' A' ' 62' ' ' LEU . 11.2 t0 -36.44 111.03 0.48 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.586 0.708 . . . . 0.0 110.898 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -37.93 8.68 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -94.18 32.3 1.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.46 ' CB ' ' HB3' ' A' ' 59' ' ' ASP . 4.9 tp -107.38 124.42 49.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.566 HG21 ' CE2' ' A' ' 65' ' ' TYR . 2.5 p -88.43 109.52 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.164 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.574 ' CE3' HG13 ' A' ' 34' ' ' VAL . 40.7 t90 -96.07 146.9 24.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.959 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.566 ' CE2' HG21 ' A' ' 63' ' ' VAL . 38.2 m-85 -134.22 155.43 50.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.552 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 22.7 p -105.7 138.04 42.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.491 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -30.45 -54.94 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 67' ' ' ALA . 2.5 mmp_? -33.7 -51.11 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 66' ' ' CYS . 26.2 p -88.11 -44.4 10.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -179.97 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.812 0.339 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -117.61 141.51 48.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.478 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.3 p -62.62 -178.62 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.533 HG11 ' CZ ' ' A' ' 43' ' ' TYR . 1.2 p -104.9 -21.44 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.477 ' CB ' ' HB3' ' A' ' 47' ' ' CYS . 82.3 t -64.16 -75.04 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.4 p -90.9 -11.2 39.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 61.31 52.26 3.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -133.06 172.96 11.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -115.46 -10.71 11.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.7 m -50.4 122.32 6.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.123 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.0 m -137.86 -178.1 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.889 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.839 0.352 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.582 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 8.9 mt -98.69 170.18 8.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.566 HG11 ' CE3' ' A' ' 64' ' ' TRP . 14.0 t -151.32 154.36 8.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -126.84 127.63 45.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.6 t -70.33 163.24 27.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -103.45 -32.65 9.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.956 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.436 ' O ' ' CD2' ' A' ' 40' ' ' HIS . 2.1 tp10 -78.62 -59.39 2.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.44 ' C ' ' CD2' ' A' ' 40' ' ' HIS . 2.0 m -84.2 -32.27 24.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.44 ' CD2' ' C ' ' A' ' 39' ' ' CYS . 17.3 m-70 74.13 37.71 0.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -107.0 151.29 25.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.478 ' CB ' ' HA ' ' A' ' 19' ' ' CYS . 93.6 mt -86.12 128.87 34.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.945 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.533 ' CZ ' HG11 ' A' ' 20' ' ' VAL . 27.1 m-85 -134.52 116.13 14.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.582 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.4 m80 -60.34 125.62 24.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.826 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.464 ' HG2' ' CG1' ' A' ' 52' ' ' VAL . 88.5 mt-30 -35.84 -29.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 44' ' ' HIS . 3.4 t70 -91.63 -64.56 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.477 ' HB3' ' CB ' ' A' ' 21' ' ' VAL . 84.8 m -36.9 -38.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.482 ' CE1' ' HA ' ' A' ' 66' ' ' CYS . 1.8 t-80 -63.9 159.92 18.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.596 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 0.2 OUTLIER -63.95 -68.06 0.9 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.538 0.685 . . . . 0.0 110.909 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.596 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 54.0 Cg_endo -69.75 110.07 2.46 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.695 2.264 . . . . 0.0 112.36 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -48.45 103.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.464 ' CG1' ' HG2' ' A' ' 45' ' ' GLN . 86.4 t -76.56 128.7 37.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 58.7 p -94.36 166.61 11.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -65.11 -57.64 8.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 54' ' ' ASP . 3.4 ttmm -33.52 -38.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 54' ' ' ASP . 15.0 mt-10 -74.86 -61.61 1.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.431 ' HB ' ' NE2' ' A' ' 45' ' ' GLN . 0.3 OUTLIER -44.35 -32.52 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -62.6 -55.7 24.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.459 ' HB3' ' CB ' ' A' ' 62' ' ' LEU . 6.7 t70 -41.86 102.67 0.27 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.596 0.712 . . . . 0.0 110.856 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 59' ' ' ASP . 53.7 Cg_endo -69.78 -30.73 21.74 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.679 2.253 . . . . 0.0 112.366 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -100.4 29.27 4.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.459 ' CB ' ' HB3' ' A' ' 59' ' ' ASP . 12.9 tp -99.61 133.17 44.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 86.7 t -90.39 97.02 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.566 ' CE3' HG11 ' A' ' 34' ' ' VAL . 27.5 t90 -85.45 144.71 27.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -132.88 145.29 50.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.938 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.482 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 26.0 p -98.98 140.63 32.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.87 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.474 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -28.83 -56.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.073 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 67' ' ' ALA . 8.5 mmt180 -33.4 -53.24 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.435 ' SG ' ' O ' ' A' ' 66' ' ' CYS . 21.3 p -85.3 -49.9 7.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.2 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 pp . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.814 0.34 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.27 146.45 26.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.075 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.438 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -66.38 -174.4 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.519 HG13 ' CZ ' ' A' ' 43' ' ' TYR . 0.7 OUTLIER -108.77 -18.58 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.149 179.93 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.473 ' CB ' ' HB3' ' A' ' 47' ' ' CYS . 90.1 t -68.72 -75.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.4 p -89.45 -15.33 33.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 66.08 50.27 1.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -129.09 171.75 12.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 66.0 mtm -118.32 -4.27 10.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.1 m -59.32 121.37 11.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.8 m -132.66 -179.3 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.852 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.825 0.345 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.581 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 6.5 mt -100.88 158.18 16.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.52 HG13 ' CD2' ' A' ' 64' ' ' TRP . 3.1 t -130.66 155.9 42.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -128.81 119.83 25.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 24.9 t -65.17 161.31 19.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.543 ' N ' ' CD ' ' A' ' 37' ' ' GLN . 1.5 mm100 -99.5 -26.92 13.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -87.23 -69.13 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.5 p -74.36 -21.64 59.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 62.42 32.82 16.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -97.23 150.1 21.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.438 ' CB ' ' HA ' ' A' ' 19' ' ' CYS . 68.4 mt -87.69 126.64 35.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.519 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 37.2 m-85 -131.75 121.65 24.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.581 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.0 m80 -64.31 128.54 36.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.883 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.439 ' NE2' HG21 ' A' ' 57' ' ' VAL . 58.2 mt-30 -38.81 -25.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.95 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 44' ' ' HIS . 29.8 t70 -96.55 -62.9 1.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.473 ' HB3' ' CB ' ' A' ' 21' ' ' VAL . 87.6 m -36.14 -40.92 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -60.9 155.3 20.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.611 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 13.5 mtmm -59.52 -69.07 0.59 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.596 0.712 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.611 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.7 Cg_endo -69.76 112.77 3.17 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -47.85 103.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 36.7 t -77.69 131.43 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.3 p -85.36 -176.18 6.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.159 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.507 ' O ' ' ND2' ' A' ' 58' ' ' ASN . 19.6 m-20 -89.06 -32.01 17.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -70.12 -38.25 75.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.42 ' CD ' HD23 ' A' ' 62' ' ' LEU . 6.1 mm-40 -58.68 -61.04 2.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.439 HG21 ' NE2' ' A' ' 45' ' ' GLN . 6.0 m -56.74 -34.0 42.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 54' ' ' ASP . 1.9 m-80 -63.56 -57.96 8.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.405 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 3.7 t70 -41.2 101.85 0.25 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.55 0.69 . . . . 0.0 110.89 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 59' ' ' ASP . 53.7 Cg_endo -69.76 -10.66 29.1 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.675 2.25 . . . . 0.0 112.318 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.29 5.75 40.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.857 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.42 HD23 ' CD ' ' A' ' 56' ' ' GLU . 16.1 tp -97.19 138.83 34.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.553 ' CG2' ' CE2' ' A' ' 65' ' ' TYR . 1.9 p -100.37 107.56 21.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.52 ' CD2' HG13 ' A' ' 34' ' ' VAL . 7.6 t90 -87.04 133.26 33.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.553 ' CE2' ' CG2' ' A' ' 63' ' ' VAL . 13.6 m-85 -133.54 115.11 14.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 18.2 p -65.51 148.09 52.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.459 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -38.6 -56.81 1.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.459 ' C ' ' O ' ' A' ' 67' ' ' ALA . 6.0 mmt180 -33.45 -41.81 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 85.8 m -87.76 -47.73 8.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.0 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 -179.946 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.405 ' N ' HD22 ' A' ' 17' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.844 0.354 . . . . 0.0 110.952 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -103.81 149.7 24.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.082 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.469 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -64.27 -176.44 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.926 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.528 HG13 ' CZ ' ' A' ' 43' ' ' TYR . 0.5 OUTLIER -106.36 -18.43 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.12 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.476 ' CB ' ' HB3' ' A' ' 47' ' ' CYS . 68.3 t -68.51 -75.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.7 p -90.92 -13.17 34.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 63.05 53.33 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -130.51 175.93 8.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.5 mtm -123.33 0.47 8.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.0 m -63.52 120.83 12.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.15 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.2 m -135.54 168.96 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.087 179.863 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.81 0.338 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.577 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 11.2 mt -103.55 155.28 18.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.537 HG11 ' CE3' ' A' ' 64' ' ' TRP . 10.6 t -133.0 159.66 43.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -129.79 125.65 36.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 44.6 t -72.06 159.95 33.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.417 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 21.3 mm-40 -98.34 -28.25 13.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -86.55 -70.51 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.2 p -71.91 -22.94 61.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 62.65 36.18 13.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -103.69 150.33 24.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.469 ' CB ' ' HA ' ' A' ' 19' ' ' CYS . 25.0 mt -84.52 128.6 34.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.976 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.528 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 23.6 m-85 -131.91 118.8 20.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.577 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.5 m80 -64.58 123.59 19.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.883 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 44' ' ' HIS . 91.4 mt-30 -35.38 -30.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.512 ' N ' ' O ' ' A' ' 44' ' ' HIS . 38.0 t70 -89.9 -62.54 1.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.476 ' HB3' ' CB ' ' A' ' 21' ' ' VAL . 90.7 m -38.94 -38.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.477 ' CE1' ' HA ' ' A' ' 66' ' ' CYS . 1.8 t-160 -64.49 166.77 7.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.574 ' HG3' ' N ' ' A' ' 50' ' ' PRO . 1.2 tppt? -72.82 -63.25 1.14 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.591 0.71 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.574 ' N ' ' HG3' ' A' ' 49' ' ' LYS . 54.3 Cg_endo -69.75 106.85 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.707 2.272 . . . . 0.0 112.342 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -46.0 98.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.458 HG13 ' N ' ' A' ' 53' ' ' THR . 38.5 t -83.55 143.46 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.458 ' N ' HG13 ' A' ' 52' ' ' VAL . 67.9 p -113.75 175.7 5.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.448 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 0.5 OUTLIER -69.77 -54.73 12.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.847 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.5 tttm -39.04 -30.24 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 54' ' ' ASP . 10.5 mm-40 -72.75 -72.4 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.407 ' CG1' HG21 ' A' ' 34' ' ' VAL . 15.1 m -47.46 -29.19 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -61.67 -43.24 99.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -62.74 110.69 3.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.57 0.7 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -38.12 8.21 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.667 2.244 . . . . 0.0 112.367 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 76.2 mtm-85 -85.35 27.77 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 tp -105.22 142.8 34.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.537 HG13 ' CE2' ' A' ' 65' ' ' TYR . 92.9 t -107.2 106.74 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.537 ' CE3' HG11 ' A' ' 34' ' ' VAL . 10.0 t90 -96.37 133.88 40.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.537 ' CE2' HG13 ' A' ' 63' ' ' VAL . 20.2 m-85 -133.36 118.11 18.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.477 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 14.7 p -69.02 139.8 54.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.489 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -33.61 -59.34 0.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.489 ' C ' ' O ' ' A' ' 67' ' ' ALA . 2.5 mmm180 -30.25 -46.85 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.831 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 84.3 m -81.47 -49.21 10.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.1 m . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.132 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.426 ' O ' ' CD1' ' A' ' 33' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.04 0 CA-C-O 120.864 0.364 . . . . 0.0 110.925 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -109.82 145.02 37.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.133 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.466 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.3 p -64.38 -179.17 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.537 HG12 ' CZ ' ' A' ' 43' ' ' TYR . 0.8 OUTLIER -105.74 -16.52 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.467 ' CB ' ' HB3' ' A' ' 47' ' ' CYS . 87.3 t -68.69 -75.17 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.9 p -90.49 -11.57 39.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 62.73 53.31 2.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -131.33 168.29 17.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.3 mtm -112.05 -18.59 12.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.424 ' O ' ' NE2' ' A' ' 44' ' ' HIS . 15.1 t -50.74 147.69 4.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.155 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.7 m -153.81 -175.15 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.035 179.866 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.82 0.343 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.589 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 6.8 mt -95.36 159.24 15.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.567 HG11 ' CE3' ' A' ' 64' ' ' TRP . 39.9 t -138.1 156.2 30.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -128.29 131.3 48.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.6 t -75.92 163.5 27.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.475 ' O ' ' CD2' ' A' ' 40' ' ' HIS . 20.0 mm-40 -99.58 -35.27 9.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.425 ' OE1' ' C ' ' A' ' 38' ' ' GLU . 1.8 tm-20 -80.34 -66.95 0.82 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 m -74.18 -25.44 59.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.475 ' CD2' ' O ' ' A' ' 37' ' ' GLN . 33.6 m-70 62.88 38.07 11.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -106.22 149.62 26.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.466 ' CB ' ' HA ' ' A' ' 19' ' ' CYS . 76.2 mt -85.47 128.38 34.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.537 ' CZ ' HG12 ' A' ' 20' ' ' VAL . 28.8 m-85 -133.8 113.53 12.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.589 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.3 m80 -56.63 126.2 25.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.821 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.483 ' NE2' HG21 ' A' ' 57' ' ' VAL . 18.5 mt-30 -36.49 -29.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 44' ' ' HIS . 1.8 t0 -92.7 -65.43 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.467 ' HB3' ' CB ' ' A' ' 21' ' ' VAL . 90.9 m -35.15 -39.2 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.407 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.8 t-80 -61.03 158.24 13.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.592 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 0.8 OUTLIER -63.38 -68.06 0.91 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.572 0.701 . . . . 0.0 110.929 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.592 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.9 Cg_endo -69.8 111.3 2.78 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.368 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -47.0 101.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.442 ' C ' ' OE1' ' A' ' 45' ' ' GLN . 50.7 t -76.31 147.99 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.423 ' C ' ' OE1' ' A' ' 45' ' ' GLN . 38.4 p -106.05 172.89 6.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 56' ' ' GLU . 0.6 OUTLIER -73.53 -55.66 6.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -34.71 -34.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.475 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 8.1 mt-10 -68.91 -66.85 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.483 HG21 ' NE2' ' A' ' 45' ' ' GLN . 1.4 t -40.83 -40.82 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -63.42 -56.41 16.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -40.02 101.08 0.23 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.621 0.724 . . . . 0.0 110.854 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -28.6 25.03 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.634 2.223 . . . . 0.0 112.378 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -101.35 28.25 5.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.6 tp -104.67 136.48 44.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.528 HG11 ' CE2' ' A' ' 65' ' ' TYR . 84.0 t -98.94 101.7 12.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.567 ' CE3' HG11 ' A' ' 34' ' ' VAL . 38.0 t90 -88.56 146.62 25.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.528 ' CE2' HG11 ' A' ' 63' ' ' VAL . 20.4 m-85 -135.81 146.73 47.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.459 ' O ' ' C ' ' A' ' 67' ' ' ALA . 28.5 p -97.68 142.23 29.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -32.25 -53.06 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 67' ' ' ALA . 9.0 mmt-85 -36.4 -49.61 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.42 ' SG ' ' O ' ' A' ' 66' ' ' CYS . 24.8 p -89.85 -49.12 6.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 29.5 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.183 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.82 0.343 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.456 ' HB1' ' CG ' ' A' ' 25' ' ' MET . . . -116.33 140.53 49.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.098 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.487 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.2 p -62.92 179.0 0.41 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.539 HG12 ' CZ ' ' A' ' 43' ' ' TYR . 0.5 OUTLIER -104.67 -13.6 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.475 ' CB ' ' HB3' ' A' ' 47' ' ' CYS . 82.2 t -72.11 -75.49 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.076 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.0 p -92.44 -10.35 38.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.9 mtp85 61.24 53.03 3.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -122.76 160.56 25.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.456 ' CG ' ' HB1' ' A' ' 18' ' ' ALA . 2.0 mtt -114.36 0.42 14.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.5 m -93.45 117.51 30.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.083 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.3 m -103.85 -173.94 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.438 ' O ' ' NE2' ' A' ' 32' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.438 ' NE2' ' O ' ' A' ' 28' ' ' ALA . 1.3 mp0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.848 0.356 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.584 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 6.8 mt -106.86 133.3 51.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.521 HG13 ' CD2' ' A' ' 64' ' ' TRP . 2.7 t -115.85 153.47 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.104 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -123.4 123.29 40.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 22.1 t -66.06 165.05 14.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.465 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 20.5 mm-40 -103.7 -33.11 9.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.426 ' O ' ' CD2' ' A' ' 40' ' ' HIS . 2.8 tm-20 -80.4 -63.83 1.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.7 p -80.84 -25.26 37.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.426 ' CD2' ' O ' ' A' ' 38' ' ' GLU . 51.0 m-70 67.54 30.25 6.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -97.27 145.82 25.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.487 ' CB ' ' HA ' ' A' ' 19' ' ' CYS . 40.4 mt -81.99 130.56 35.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.539 ' CZ ' HG12 ' A' ' 20' ' ' VAL . 27.5 m-85 -134.04 108.08 8.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.584 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.8 m80 -52.33 124.65 13.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.418 ' CD ' HG13 ' A' ' 52' ' ' VAL . 33.4 mt-30 -36.79 -28.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.517 ' N ' ' O ' ' A' ' 44' ' ' HIS . 5.4 t70 -92.27 -64.7 1.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.837 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.475 ' HB3' ' CB ' ' A' ' 21' ' ' VAL . 98.2 m -36.72 -38.85 0.18 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.402 ' HD2' ' CD1' ' A' ' 43' ' ' TYR . 1.8 t-80 -62.06 157.87 17.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.591 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 1.6 mmmp? -61.36 -68.29 0.84 Allowed Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.608 0.718 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.591 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 54.1 Cg_endo -69.68 110.93 2.66 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.68 2.253 . . . . 0.0 112.403 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -48.22 102.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.418 HG13 ' CD ' ' A' ' 45' ' ' GLN . 57.6 t -77.8 147.49 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 77.4 p -102.93 -177.62 3.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -86.89 -23.3 25.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.8 tptt -75.87 -33.91 60.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -64.2 -54.65 30.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.9 m -58.47 -42.08 83.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -59.58 -49.74 76.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -43.96 104.04 0.36 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.585 0.707 . . . . 0.0 110.888 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -37.11 9.79 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.708 2.272 . . . . 0.0 112.35 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -88.2 26.32 1.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.1 tp -109.6 142.67 40.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.57 HG21 ' CE2' ' A' ' 65' ' ' TYR . 10.1 p -106.74 108.65 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.521 ' CD2' HG13 ' A' ' 34' ' ' VAL . 10.8 t90 -93.57 134.61 35.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.57 ' CE2' HG21 ' A' ' 63' ' ' VAL . 10.0 m-85 -135.01 117.0 15.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 67' ' ' ALA . 16.7 p -61.21 143.42 55.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.489 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -32.45 -62.24 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.083 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.489 ' C ' ' O ' ' A' ' 67' ' ' ALA . 18.7 mtt180 -31.15 -63.49 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 64.4 m -63.22 -44.48 95.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 86.9 m . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.164 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.425 ' C ' HD11 ' A' ' 42' ' ' LEU . 4.6 pp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.804 0.335 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.421 ' HB1' ' C ' ' A' ' 24' ' ' GLN . . . -83.87 142.85 30.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.447 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.1 p -60.55 -175.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.552 HG12 ' CZ ' ' A' ' 43' ' ' TYR . 1.2 p -106.04 -20.69 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.475 ' CB ' ' HB3' ' A' ' 47' ' ' CYS . 98.9 t -65.94 -75.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.7 p -90.33 -12.03 38.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.8 mtt180 62.79 52.18 2.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.421 ' C ' ' HB1' ' A' ' 18' ' ' ALA . 13.7 mm100 -133.38 169.81 16.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.42 ' CE ' ' HB2' ' A' ' 18' ' ' ALA . 2.5 mpt? -111.79 -11.29 13.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.3 m -52.25 126.45 18.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.181 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.8 m -138.62 -179.21 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.875 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.484 ' HB2' ' NE2' ' A' ' 45' ' ' GLN . 30.5 mm-40 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.816 0.341 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.589 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 7.5 mt -97.16 158.54 15.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.567 HG12 ' CE3' ' A' ' 64' ' ' TRP . 19.1 t -133.41 152.18 34.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -124.63 121.39 34.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 23.4 t -65.62 164.32 14.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.526 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 16.1 mm-40 -103.85 -32.97 9.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -83.07 -60.68 2.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.3 p -82.45 -23.36 34.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 63.96 32.01 13.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -96.86 148.05 23.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.447 ' CB ' ' HA ' ' A' ' 19' ' ' CYS . 94.3 mt -86.21 128.8 34.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.552 ' CZ ' HG12 ' A' ' 20' ' ' VAL . 38.6 m-85 -133.34 121.32 22.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.589 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 1.8 m80 -65.37 124.21 21.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.818 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.484 ' NE2' ' HB2' ' A' ' 32' ' ' GLN . 60.8 mt-30 -34.15 -32.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.52 ' N ' ' O ' ' A' ' 44' ' ' HIS . 2.8 p-10 -89.88 -63.74 1.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.475 ' HB3' ' CB ' ' A' ' 21' ' ' VAL . 96.4 m -36.41 -39.0 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.8 t-80 -63.2 159.09 18.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.601 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 0.7 OUTLIER -62.4 -68.53 0.78 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.599 0.714 . . . . 0.0 110.895 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.601 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.9 Cg_endo -69.74 112.45 3.08 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.664 2.242 . . . . 0.0 112.361 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -48.88 101.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.2 t -83.7 139.14 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.9 p -101.82 174.79 5.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.44 ' C ' ' OD1' ' A' ' 58' ' ' ASN . 1.6 p-10 -75.93 -54.6 6.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -37.58 -31.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 54' ' ' ASP . 8.6 mt-10 -73.53 -72.51 0.26 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.859 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.407 HG23 ' N ' ' A' ' 58' ' ' ASN . 32.9 m -47.73 -22.91 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.44 ' OD1' ' C ' ' A' ' 54' ' ' ASP . 20.8 m120 -66.04 -36.5 83.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.411 ' HB3' ' CB ' ' A' ' 62' ' ' LEU . 39.4 t0 -63.65 115.02 15.33 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.618 0.723 . . . . 0.0 110.844 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.64 -33.26 17.42 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.725 2.283 . . . . 0.0 112.384 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -99.31 34.77 2.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.411 ' CB ' ' HB3' ' A' ' 59' ' ' ASP . 0.9 OUTLIER -104.18 146.85 28.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.561 HG13 ' CE2' ' A' ' 65' ' ' TYR . 71.4 t -108.51 111.14 34.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.567 ' CE3' HG12 ' A' ' 34' ' ' VAL . 25.0 t90 -105.69 136.06 45.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.561 ' CE2' HG13 ' A' ' 63' ' ' VAL . 28.1 m-85 -133.66 126.44 30.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 67' ' ' ALA . 17.0 p -76.76 149.03 36.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.48 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -37.16 -60.13 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.097 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.48 ' C ' ' O ' ' A' ' 67' ' ' ALA . 7.3 mmm180 -31.58 -41.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.425 ' N ' ' O ' ' A' ' 67' ' ' ALA . 74.7 m -91.17 -43.03 10.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.6 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.179 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.539 ' C ' ' CD1' ' A' ' 42' ' ' LEU . 4.4 pp . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.804 0.335 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -93.82 148.0 22.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.076 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.479 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.4 p -62.02 -179.52 0.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.516 HG11 ' CZ ' ' A' ' 43' ' ' TYR . 0.3 OUTLIER -103.89 -16.46 7.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.878 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.468 ' CB ' ' HB3' ' A' ' 47' ' ' CYS . 67.5 t -70.08 -76.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.8 p -90.16 -14.95 32.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.8 mtm180 65.14 52.77 1.44 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.826 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -133.74 -176.98 4.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 14.3 mtm -122.6 -19.93 6.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.8 m -41.89 125.22 2.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.143 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.1 m -140.79 172.69 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.859 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.816 0.341 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.573 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 13.1 mt -103.81 157.26 17.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.528 HG12 ' CD2' ' A' ' 64' ' ' TRP . 20.3 t -137.83 154.81 29.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -124.34 128.08 48.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 33.7 t -73.6 160.84 31.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -101.55 -24.34 14.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.413 ' O ' ' CD2' ' A' ' 40' ' ' HIS . 2.9 tt0 -88.47 -63.88 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.9 p -81.35 -26.82 35.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.413 ' CD2' ' O ' ' A' ' 38' ' ' GLU . 50.5 m-70 68.12 36.02 3.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -103.67 145.62 29.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.539 ' CD1' ' C ' ' A' ' 17' ' ' LEU . 44.3 mt -80.05 127.71 32.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.516 ' CZ ' HG11 ' A' ' 20' ' ' VAL . 27.6 m-85 -132.63 114.83 14.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.573 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.9 m80 -60.67 124.76 21.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.853 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.459 ' NE2' HG11 ' A' ' 57' ' ' VAL . 43.9 mt-30 -36.32 -29.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 44' ' ' HIS . 11.8 t0 -90.76 -65.04 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.468 ' HB3' ' CB ' ' A' ' 21' ' ' VAL . 95.6 m -36.65 -38.54 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -63.51 155.41 29.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.599 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 8.7 mmtp -60.88 -68.35 0.82 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.595 0.712 . . . . 0.0 110.919 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.599 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 54.1 Cg_endo -69.74 109.87 2.41 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.684 2.256 . . . . 0.0 112.362 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -47.41 100.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 98.6 t -72.12 146.35 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 62.7 p -111.54 177.27 4.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.184 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -76.61 -45.35 30.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.923 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -43.03 -29.13 0.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -76.46 -70.23 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.459 HG11 ' NE2' ' A' ' 45' ' ' GLN . 31.7 m -48.21 -34.73 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -63.61 -37.41 87.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.434 ' HB3' ' CB ' ' A' ' 62' ' ' LEU . 2.9 m-20 -64.73 111.34 5.53 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.64 0.733 . . . . 0.0 110.866 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -42.92 2.97 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.671 2.247 . . . . 0.0 112.333 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -91.35 33.02 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.465 ' HG ' ' N ' ' A' ' 63' ' ' VAL . 0.1 OUTLIER -107.13 149.91 27.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.465 ' N ' ' HG ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -112.9 123.82 68.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.829 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.528 ' CD2' HG12 ' A' ' 34' ' ' VAL . 14.2 t90 -107.49 131.21 54.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -126.93 118.91 25.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 67' ' ' ALA . 20.3 p -72.51 143.05 48.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.472 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -33.61 -57.05 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 67' ' ' ALA . 17.3 mmt180 -32.54 -46.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 67.1 m -83.18 -49.45 9.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.4 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.129 -179.93 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.466 ' O ' ' CD1' ' A' ' 33' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.797 0.332 . . . . 0.0 110.886 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -106.53 145.45 31.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.469 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.1 p -66.35 -177.77 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.527 HG11 ' CZ ' ' A' ' 43' ' ' TYR . 0.9 OUTLIER -105.32 -20.66 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.48 ' CB ' ' HB3' ' A' ' 47' ' ' CYS . 95.2 t -65.74 -75.77 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.0 p -90.36 -12.24 38.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 49.9 mtp85 62.12 52.47 3.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -130.69 172.05 12.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.78 -6.73 12.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.2 m -56.21 123.02 13.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.16 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.0 m -135.72 -176.53 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 179.889 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.769 0.319 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.575 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 7.5 mt -96.27 164.05 12.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.555 HG11 ' CE3' ' A' ' 64' ' ' TRP . 15.7 t -138.77 155.79 27.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.152 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -128.72 128.69 44.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.0 t -76.54 162.98 27.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.421 ' O ' ' CE1' ' A' ' 40' ' ' HIS . 8.2 mm-40 -104.25 -32.18 9.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -78.55 -58.17 3.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.449 ' C ' ' CD2' ' A' ' 40' ' ' HIS . 2.2 m -85.88 -33.37 21.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.449 ' CD2' ' C ' ' A' ' 39' ' ' CYS . 16.4 m-70 74.01 39.37 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -108.56 148.61 30.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.469 ' CB ' ' HA ' ' A' ' 19' ' ' CYS . 70.5 mt -84.28 127.77 34.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.527 ' CZ ' HG11 ' A' ' 20' ' ' VAL . 29.1 m-85 -133.62 118.11 17.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.958 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.575 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.2 m80 -61.72 127.04 29.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 44' ' ' HIS . 25.3 mt-30 -36.71 -29.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 44' ' ' HIS . 5.9 t70 -93.12 -63.92 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.48 ' HB3' ' CB ' ' A' ' 21' ' ' VAL . 87.1 m -36.66 -39.35 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.501 ' CE1' ' HA ' ' A' ' 66' ' ' CYS . 1.8 t-80 -62.57 160.95 12.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.58 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 3.7 mmmt -64.28 -67.51 1.04 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.599 0.714 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.58 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.7 Cg_endo -69.73 110.92 2.67 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.7 2.267 . . . . 0.0 112.354 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -48.62 101.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.7 t -83.64 137.44 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.7 p -101.98 179.57 4.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -72.86 -49.22 31.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.69 -33.88 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -72.36 -72.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.441 HG23 ' N ' ' A' ' 58' ' ' ASN . 16.0 m -46.28 -26.24 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.441 ' N ' HG23 ' A' ' 57' ' ' VAL . 54.0 m-20 -64.82 -50.2 67.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -60.29 110.56 2.97 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.636 0.731 . . . . 0.0 110.9 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -37.51 9.07 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.668 2.245 . . . . 0.0 112.346 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 42.7 mtt180 -88.98 29.27 1.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 tp -105.05 130.49 53.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 94.1 t -91.58 107.44 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.555 ' CE3' HG11 ' A' ' 34' ' ' VAL . 24.9 t90 -94.22 150.65 20.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -140.07 144.51 36.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.501 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 26.6 p -96.65 140.99 30.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -30.1 -55.13 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.429 ' NH1' ' HB3' ' A' ' 68' ' ' ARG . 2.5 mmm180 -34.82 -53.09 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.423 ' SG ' ' O ' ' A' ' 66' ' ' CYS . 22.7 p -85.56 -50.1 7.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 69' ' ' CYS . 80.8 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.423 ' O ' ' CD1' ' A' ' 33' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.854 0.359 . . . . 0.0 110.925 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -112.87 144.71 41.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.071 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.46 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -63.79 -177.38 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 -179.895 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.528 HG11 ' CZ ' ' A' ' 43' ' ' TYR . 0.8 OUTLIER -105.51 -18.94 6.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 179.92 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.466 ' CB ' ' HB3' ' A' ' 47' ' ' CYS . 94.1 t -66.53 -75.65 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.1 p -90.77 -12.37 36.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 61.71 51.9 3.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -130.34 176.19 8.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -117.95 -14.13 10.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.5 m -48.6 123.43 6.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.138 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.2 m -138.85 -175.67 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.164 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.892 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.457 ' HB2' ' NE2' ' A' ' 45' ' ' GLN . 18.7 mm-40 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.817 0.341 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.583 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 9.3 mt -100.65 153.61 19.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.571 HG11 ' CE3' ' A' ' 64' ' ' TRP . 46.1 t -130.25 158.29 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -130.06 131.06 45.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 37' ' ' GLN . 41.1 t -77.54 163.24 26.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.538 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 79.3 mm-40 -99.96 -35.87 9.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.7 -68.07 0.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.7 m -74.27 -25.97 59.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.522 ' CD2' ' O ' ' A' ' 37' ' ' GLN . 24.1 m-70 63.55 41.62 7.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -109.82 150.59 28.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.46 ' CB ' ' HA ' ' A' ' 19' ' ' CYS . 66.0 mt -84.85 126.86 33.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.528 ' CZ ' HG11 ' A' ' 20' ' ' VAL . 24.6 m-85 -131.7 114.32 14.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.94 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.583 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.3 m80 -57.86 125.57 23.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.457 ' NE2' ' HB2' ' A' ' 32' ' ' GLN . 65.6 mt-30 -37.51 -27.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -93.61 -64.5 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.466 ' HB3' ' CB ' ' A' ' 21' ' ' VAL . 85.3 m -36.79 -38.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.404 ' CE1' ' HA ' ' A' ' 66' ' ' CYS . 1.8 t-80 -62.76 157.93 19.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.602 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 24.6 mtmt -62.69 -68.4 0.82 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.608 0.718 . . . . 0.0 110.949 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.602 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.8 Cg_endo -69.78 109.42 2.31 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.669 2.246 . . . . 0.0 112.337 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -46.82 102.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.3 t -76.52 138.37 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 64.7 p -97.24 176.41 5.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 56' ' ' GLU . 2.0 m-20 -75.03 -58.78 3.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 54' ' ' ASP . 8.0 pttm -33.94 -34.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 54' ' ' ASP . 8.5 mm-40 -62.37 -67.5 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.453 HG12 ' NE2' ' A' ' 45' ' ' GLN . 34.6 m -55.05 -33.32 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.435 ' N ' HG23 ' A' ' 57' ' ' VAL . 7.4 m-80 -56.95 -46.09 82.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.468 ' HB3' ' CB ' ' A' ' 62' ' ' LEU . 25.2 t0 -61.2 113.6 8.4 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.592 0.71 . . . . 0.0 110.857 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -39.6 6.47 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.37 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -94.46 35.09 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.471 ' HG ' ' N ' ' A' ' 63' ' ' VAL . 0.1 OUTLIER -100.99 150.27 23.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.471 ' N ' ' HG ' ' A' ' 62' ' ' LEU . 7.1 p -113.28 109.88 30.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.571 ' CE3' HG11 ' A' ' 34' ' ' VAL . 39.7 t90 -101.13 152.61 20.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.538 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 41.9 m-85 -142.23 153.8 44.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.453 ' O ' ' C ' ' A' ' 67' ' ' ALA . 27.3 p -106.46 143.51 34.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.919 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -32.75 -54.53 0.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 67' ' ' ALA . 1.9 mmm180 -33.81 -48.34 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.839 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 66' ' ' CYS . 25.8 p -92.85 -48.68 6.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.4 m . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.135 -179.939 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.447 ' O ' ' CD1' ' A' ' 33' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.84 0.352 . . . . 0.0 110.954 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -108.88 140.81 41.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.463 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -62.65 -177.33 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.531 HG11 ' CZ ' ' A' ' 43' ' ' TYR . 0.8 OUTLIER -106.26 -17.64 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.085 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.468 ' CB ' ' HB3' ' A' ' 47' ' ' CYS . 65.5 t -68.93 -75.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.4 p -90.51 -12.57 36.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.8 mtt85 63.29 51.01 2.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -132.04 173.31 11.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -115.41 -10.79 11.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 93.6 m -48.47 126.36 11.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.0 m -143.11 -176.97 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.175 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.863 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.835 0.35 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.55 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 10.0 mt -104.33 163.65 12.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.527 HG11 ' CD2' ' A' ' 64' ' ' TRP . 3.5 t -138.27 151.84 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -123.96 122.65 38.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.846 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 23.8 t -66.92 164.7 16.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.445 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 20.3 mm-40 -103.91 -30.36 10.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.26 -62.74 1.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.3 p -82.21 -24.27 34.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 65.39 34.09 8.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -97.88 148.02 23.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.463 ' CB ' ' HA ' ' A' ' 19' ' ' CYS . 92.8 mt -84.86 126.33 33.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.531 ' CZ ' HG11 ' A' ' 20' ' ' VAL . 37.1 m-85 -131.92 118.8 20.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.55 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.2 m80 -62.81 127.62 32.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -38.98 -25.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 44' ' ' HIS . 29.9 t70 -96.57 -64.09 1.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.468 ' HB3' ' CB ' ' A' ' 21' ' ' VAL . 88.0 m -36.0 -39.63 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.9 t-80 -61.91 156.11 21.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.602 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 3.8 mmtm -61.25 -68.29 0.84 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.53 0.681 . . . . 0.0 110.925 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.602 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 54.2 Cg_endo -69.77 109.27 2.27 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.713 2.275 . . . . 0.0 112.355 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -46.78 101.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.2 t -71.47 141.42 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 75.2 p -100.78 169.6 8.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.41 ' O ' ' ND2' ' A' ' 58' ' ' ASN . 0.7 OUTLIER -72.69 -44.17 62.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -44.93 -28.47 0.67 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -77.37 -70.91 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 33.0 m -43.87 -27.31 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 54' ' ' ASP . 81.7 m-20 -73.28 -51.67 16.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -51.64 107.68 0.89 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.608 0.718 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -24.06 30.03 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 2.256 . . . . 0.0 112.327 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.401 ' HD2' ' O ' ' A' ' 61' ' ' ARG . 1.2 ppt_? -107.05 28.29 8.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.3 tp -97.11 144.3 27.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.477 HG11 ' CE2' ' A' ' 65' ' ' TYR . 87.1 t -104.09 107.67 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.527 ' CD2' HG11 ' A' ' 34' ' ' VAL . 18.5 t90 -100.92 132.93 46.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.477 ' CE2' HG11 ' A' ' 63' ' ' VAL . 16.3 m-85 -130.58 116.85 18.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.4 p -67.8 144.9 55.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.462 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -38.78 -57.65 1.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.462 ' C ' ' O ' ' A' ' 67' ' ' ALA . 14.2 mmt180 -32.85 -41.06 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 86.7 m -86.75 -49.61 7.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.7 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.126 -179.976 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 pp . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.817 0.341 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.439 ' HB1' ' C ' ' A' ' 24' ' ' GLN . . . -96.23 147.08 24.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.464 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -61.87 -178.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.542 HG11 ' CZ ' ' A' ' 43' ' ' TYR . 0.8 OUTLIER -104.1 -18.34 6.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.145 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.472 ' CB ' ' HB3' ' A' ' 47' ' ' CYS . 89.4 t -67.72 -76.05 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.8 p -90.98 -12.04 37.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 61.77 52.16 3.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.439 ' C ' ' HB1' ' A' ' 18' ' ' ALA . 70.9 mt-30 -129.16 172.28 11.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 37.0 mtp -116.35 -12.81 11.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 95.7 m -53.0 129.19 29.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.8 m -143.7 -179.31 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.88 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.787 0.327 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.584 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 7.2 mt -97.16 164.3 12.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.564 HG12 ' CE3' ' A' ' 64' ' ' TRP . 10.6 t -138.92 153.46 25.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.066 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -122.73 128.07 50.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.451 ' SG ' ' N ' ' A' ' 37' ' ' GLN . 36.5 t -76.1 163.34 27.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.506 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 12.3 mm-40 -100.62 -36.82 9.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.963 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.424 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 0.2 OUTLIER -76.97 -69.38 0.53 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.839 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.5 m -74.43 -23.75 58.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.462 ' CD2' ' O ' ' A' ' 37' ' ' GLN . 31.3 m-70 63.82 33.47 12.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.811 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -100.87 154.01 19.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.464 ' CB ' ' HA ' ' A' ' 19' ' ' CYS . 55.8 mt -88.54 130.9 35.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.542 ' CZ ' HG11 ' A' ' 20' ' ' VAL . 29.3 m-85 -134.95 117.16 15.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.584 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.4 m80 -60.52 127.3 31.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.467 ' HG2' ' CG1' ' A' ' 52' ' ' VAL . 22.1 mt-30 -37.39 -28.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 44' ' ' HIS . 12.7 t0 -94.25 -64.88 1.03 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.472 ' HB3' ' CB ' ' A' ' 21' ' ' VAL . 91.2 m -34.9 -38.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.423 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.7 t-80 -61.97 158.35 16.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.807 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.595 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 34.1 mttt -63.73 -68.13 0.89 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.594 0.712 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.595 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.8 Cg_endo -69.87 110.43 2.57 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.626 2.218 . . . . 0.0 112.351 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -45.74 103.78 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.467 ' CG1' ' HG2' ' A' ' 45' ' ' GLN . 89.8 t -73.35 144.6 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.4 ' O ' ' OE1' ' A' ' 45' ' ' GLN . 63.7 p -94.98 176.99 6.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.91 -34.81 38.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -65.59 -43.2 90.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -55.58 -59.98 4.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.437 HG21 ' NE2' ' A' ' 45' ' ' GLN . 26.8 m -53.82 -36.33 29.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -67.48 -48.33 67.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -40.03 101.66 0.24 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.723 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -36.04 11.5 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.714 2.276 . . . . 0.0 112.329 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.9 ptp180 -100.13 34.93 2.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.0 tp -110.91 140.42 45.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.473 HG12 ' CE2' ' A' ' 65' ' ' TYR . 97.3 t -97.29 93.92 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.564 ' CE3' HG12 ' A' ' 34' ' ' VAL . 60.8 t90 -86.43 136.7 33.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.506 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 19.5 m-85 -126.18 148.48 49.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.463 ' O ' ' C ' ' A' ' 67' ' ' ALA . 27.4 p -99.22 140.49 33.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.463 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -30.9 -52.97 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 67' ' ' ALA . 14.5 mmt-85 -35.65 -50.5 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.437 ' SG ' ' O ' ' A' ' 66' ' ' CYS . 21.6 p -88.17 -48.64 7.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.3 m . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.196 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.835 0.35 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -101.43 143.43 31.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.089 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.48 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.9 p -62.9 178.46 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.559 HG13 ' CE1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -104.56 -10.53 9.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.416 ' CB ' ' HB3' ' A' ' 47' ' ' CYS . 99.3 t -75.87 -75.66 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.6 p -90.84 -11.93 37.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 62.75 54.3 2.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -132.02 173.07 11.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 63.3 mtm -118.31 -2.98 11.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.6 m -56.78 124.25 17.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.204 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.0 m -144.28 166.27 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.909 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.417 ' HB2' ' NE2' ' A' ' 45' ' ' GLN . 23.6 mm-40 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.786 0.327 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.592 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 4.4 mt -102.79 156.45 17.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.581 HG13 ' CE3' ' A' ' 64' ' ' TRP . 14.5 t -134.01 155.65 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -123.38 134.58 53.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.6 t -82.86 158.07 22.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.583 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 75.5 mm-40 -93.78 -29.45 15.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.94 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.29 -64.35 1.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 69' ' ' CYS . 3.9 m -71.38 -25.71 62.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 54.6 m-70 63.68 26.52 14.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -98.89 -174.39 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.48 ' CB ' ' HA ' ' A' ' 19' ' ' CYS . 45.4 mt -116.85 132.29 56.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.559 ' CE1' HG13 ' A' ' 20' ' ' VAL . 31.8 m-85 -132.59 114.9 14.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.592 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.7 m80 -58.88 124.17 18.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.463 ' NE2' HG21 ' A' ' 57' ' ' VAL . 39.4 mt-30 -32.78 -35.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 44' ' ' HIS . 23.1 t0 -86.55 -63.81 1.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.433 ' C ' ' O ' ' A' ' 46' ' ' ASP . 81.4 m -35.92 -36.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.428 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.8 t-80 -65.06 159.23 23.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.58 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 50.4 mttt -65.03 -67.56 1.01 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.576 0.703 . . . . 0.0 110.862 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.58 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.8 Cg_endo -69.73 109.28 2.27 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.354 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -46.09 102.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.96 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 50.7 t -84.91 148.37 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 81.3 p -112.13 167.34 10.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.149 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 55' ' ' LYS . 4.5 m-20 -67.9 -54.11 21.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 54' ' ' ASP . 3.0 ttmm -34.13 -41.6 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -68.46 -60.93 2.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.463 HG21 ' NE2' ' A' ' 45' ' ' GLN . 15.6 t -42.91 -36.98 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -61.34 -56.73 17.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.426 ' HB3' ' CB ' ' A' ' 62' ' ' LEU . 10.8 t0 -41.46 105.86 0.41 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.607 0.718 . . . . 0.0 110.918 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 59' ' ' ASP . 53.1 Cg_endo -69.77 -34.35 14.72 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.718 2.278 . . . . 0.0 112.301 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -92.69 29.26 1.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.426 ' CB ' ' HB3' ' A' ' 59' ' ' ASP . 7.5 tp -103.56 133.83 47.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.423 ' O ' ' CG1' ' A' ' 63' ' ' VAL . 13.6 p -95.79 106.6 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.581 ' CE3' HG13 ' A' ' 34' ' ' VAL . 21.1 t90 -98.84 132.34 44.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.583 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 17.1 m-85 -131.9 124.04 28.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 67' ' ' ALA . 14.1 p -65.25 145.52 56.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.474 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -35.43 -60.9 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.474 ' C ' ' O ' ' A' ' 67' ' ' ALA . 15.3 mmt180 -32.4 -42.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 39' ' ' CYS . 76.1 m -84.62 -49.51 8.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.0 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 -179.905 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.814 0.34 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.425 ' HB3' ' C ' ' A' ' 24' ' ' GLN . . . -113.66 139.43 49.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.462 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.2 p -58.07 179.52 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.546 HG11 ' CZ ' ' A' ' 43' ' ' TYR . 0.9 OUTLIER -104.21 -16.33 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.09 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.473 ' CB ' ' HB3' ' A' ' 47' ' ' CYS . 99.6 t -69.07 -75.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.0 p -90.54 -15.87 29.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.4 mtm-85 66.83 50.68 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.425 ' C ' ' HB3' ' A' ' 18' ' ' ALA . 59.4 mt-30 -126.0 163.65 22.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 14.2 mtm -114.76 1.24 14.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.9 m -73.53 128.47 35.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.127 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.8 m -138.18 -175.57 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.075 179.917 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.472 ' HB2' ' NE2' ' A' ' 45' ' ' GLN . 24.1 mm-40 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.797 0.332 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.59 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 3.7 mt -101.73 161.47 13.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.584 HG11 ' CE3' ' A' ' 64' ' ' TRP . 16.4 t -136.77 159.88 37.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -134.82 126.65 29.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.4 t -71.1 162.32 29.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -98.68 -34.53 10.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.67 -68.67 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.813 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.9 m -72.1 -25.1 61.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 63.16 38.72 10.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -105.84 149.76 26.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.462 ' CB ' ' HA ' ' A' ' 19' ' ' CYS . 68.2 mt -85.45 131.66 34.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.546 ' CZ ' HG11 ' A' ' 20' ' ' VAL . 29.3 m-85 -136.22 116.12 13.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.965 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.59 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.1 m80 -60.04 125.79 25.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.472 ' NE2' ' HB2' ' A' ' 32' ' ' GLN . 82.4 mt-30 -34.9 -31.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.508 ' N ' ' O ' ' A' ' 44' ' ' HIS . 32.2 t0 -91.09 -65.33 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.473 ' HB3' ' CB ' ' A' ' 21' ' ' VAL . 84.8 m -34.84 -40.02 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.845 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.434 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.9 t-80 -63.07 156.78 23.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.598 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 20.3 mttt -62.24 -68.29 0.85 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.564 0.697 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.598 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.8 Cg_endo -69.78 111.21 2.75 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.671 2.247 . . . . 0.0 112.332 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -47.57 101.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 38.2 t -81.31 137.42 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 75.7 p -92.06 -175.28 4.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.56 -37.65 17.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -62.88 -40.39 97.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -57.74 -46.49 84.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.444 HG22 ' N ' ' A' ' 58' ' ' ASN . 18.7 m -71.45 -28.25 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.444 ' N ' HG22 ' A' ' 57' ' ' VAL . 2.8 m-80 -73.51 -46.45 47.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -48.54 107.41 0.75 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.658 0.742 . . . . 0.0 110.801 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -30.14 22.71 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.706 2.271 . . . . 0.0 112.333 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -91.26 23.96 3.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.5 tp -115.46 131.54 56.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.484 HG22 ' CZ ' ' A' ' 65' ' ' TYR . 12.2 p -98.75 103.44 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.584 ' CE3' HG11 ' A' ' 34' ' ' VAL . 19.9 t90 -82.1 146.88 29.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.484 ' CZ ' HG22 ' A' ' 63' ' ' VAL . 18.5 m-85 -137.8 151.92 48.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.935 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.457 ' O ' ' C ' ' A' ' 67' ' ' ALA . 26.9 p -100.27 139.19 36.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -31.92 -52.28 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.089 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 67' ' ' ALA . 7.0 mmt180 -36.74 -49.8 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 66' ' ' CYS . 25.6 p -88.85 -48.58 7.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.7 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.484 ' C ' ' CD1' ' A' ' 42' ' ' LEU . 4.3 pp . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.812 0.339 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.8 143.89 29.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.451 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.3 p -59.64 -176.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.53 HG13 ' CZ ' ' A' ' 43' ' ' TYR . 0.8 OUTLIER -106.06 -17.09 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.478 ' CB ' ' HB3' ' A' ' 47' ' ' CYS . 98.1 t -69.02 -75.28 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.4 p -91.38 -15.87 28.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.6 mtt-85 65.24 54.84 1.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.855 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -133.08 172.75 12.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -113.88 -18.73 11.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.2 m -46.0 121.95 3.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.6 m -136.36 177.32 6.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.166 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.924 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.793 0.33 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.58 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 6.9 mt -101.08 143.22 31.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.565 HG12 ' CE3' ' A' ' 64' ' ' TRP . 6.1 t -118.17 155.82 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -127.04 122.19 33.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 37' ' ' GLN . 34.6 t -70.94 162.74 28.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.539 ' O ' ' CD2' ' A' ' 40' ' ' HIS . 51.9 mm-40 -101.12 -37.01 8.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -74.77 -69.39 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -74.27 -23.42 59.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.539 ' CD2' ' O ' ' A' ' 37' ' ' GLN . 25.7 m-70 63.5 36.43 11.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.825 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -104.94 150.64 24.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.484 ' CD1' ' C ' ' A' ' 17' ' ' LEU . 62.6 mt -86.73 128.02 35.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.53 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 23.1 m-85 -132.11 114.58 14.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.58 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.0 m80 -56.6 127.73 32.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.44 ' OE1' ' C ' ' A' ' 52' ' ' VAL . 11.8 mt-30 -38.77 -25.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 44' ' ' HIS . 3.5 t0 -96.82 -65.03 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.478 ' HB3' ' CB ' ' A' ' 21' ' ' VAL . 89.6 m -34.31 -39.86 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.412 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.8 t-80 -60.02 161.11 7.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.591 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 2.2 mmmp? -64.87 -67.97 0.91 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.571 0.7 . . . . 0.0 110.904 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.591 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.8 Cg_endo -69.72 109.63 2.35 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.662 2.241 . . . . 0.0 112.323 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -46.8 99.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.44 ' C ' ' OE1' ' A' ' 45' ' ' GLN . 25.6 t -75.36 139.95 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.8 p -105.43 173.8 6.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 55' ' ' LYS . 18.3 m-20 -67.39 -58.7 4.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 54' ' ' ASP . 43.5 mmtt -33.54 -37.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 54' ' ' ASP . 13.1 mm-40 -71.26 -74.92 0.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.6 m -47.45 -21.21 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.411 ' ND2' ' HB3' ' A' ' 54' ' ' ASP . 17.8 m-20 -72.55 -43.58 63.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.45 ' HB3' ' CB ' ' A' ' 62' ' ' LEU . 10.2 t0 -58.7 110.14 2.4 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.609 0.719 . . . . 0.0 110.866 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 -36.76 9.97 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.317 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 61' ' ' ARG . 19.1 mtm105 -93.78 31.62 1.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.45 ' CB ' ' HB3' ' A' ' 59' ' ' ASP . 3.5 tp -105.78 138.71 41.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.541 HG12 ' CE2' ' A' ' 65' ' ' TYR . 91.9 t -98.39 101.05 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.565 ' CE3' HG12 ' A' ' 34' ' ' VAL . 23.7 t90 -87.96 151.64 22.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.541 ' CE2' HG12 ' A' ' 63' ' ' VAL . 21.3 m-85 -142.05 147.27 36.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 67' ' ' ALA . 30.5 p -98.98 141.35 31.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -30.98 -52.54 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.091 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 67' ' ' ALA . 3.8 mmm180 -36.32 -51.94 0.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.421 ' SG ' ' O ' ' A' ' 66' ' ' CYS . 20.9 p -86.48 -49.8 7.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 27.2 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 -179.935 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.796 0.332 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -119.56 142.6 48.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.082 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.467 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.8 p -63.44 179.98 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.53 HG13 ' CZ ' ' A' ' 43' ' ' TYR . 0.8 OUTLIER -104.47 -16.01 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.48 ' CB ' ' HB3' ' A' ' 47' ' ' CYS . 86.9 t -70.39 -75.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.1 p -90.54 -12.17 37.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 62.78 53.62 2.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -132.06 167.65 19.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.85 -15.59 13.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.2 t -48.82 142.93 5.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.191 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.2 m -154.76 175.17 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 179.869 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.466 ' HB2' ' NE2' ' A' ' 45' ' ' GLN . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.868 0.366 . . . . 0.0 110.874 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.591 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 10.1 mt -97.9 159.31 15.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.562 HG13 ' CE3' ' A' ' 64' ' ' TRP . 4.5 t -138.26 155.33 28.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.079 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -128.07 121.84 30.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.488 ' SG ' ' N ' ' A' ' 37' ' ' GLN . 10.8 t -69.27 163.2 25.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.594 ' O ' ' CD2' ' A' ' 40' ' ' HIS . 70.9 mm-40 -98.94 -40.13 8.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.16 -71.24 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.0 m -70.04 -24.92 63.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.594 ' CD2' ' O ' ' A' ' 37' ' ' GLN . 27.0 m-70 63.53 34.61 12.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -102.65 153.8 19.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.467 ' CB ' ' HA ' ' A' ' 19' ' ' CYS . 64.9 mt -89.95 129.53 36.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.53 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 28.6 m-85 -133.43 116.58 16.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.591 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.2 m80 -61.24 126.22 26.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.889 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.466 ' NE2' ' HB2' ' A' ' 32' ' ' GLN . 46.9 mt-30 -34.35 -33.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 44' ' ' HIS . 21.5 t0 -89.11 -65.28 1.03 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.48 ' HB3' ' CB ' ' A' ' 21' ' ' VAL . 94.2 m -35.25 -38.21 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.418 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.8 t-80 -63.73 154.53 32.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.817 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.607 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 0.2 OUTLIER -60.23 -69.0 0.62 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.584 0.707 . . . . 0.0 110.921 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.607 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.3 Cg_endo -69.81 112.13 3.0 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -47.53 103.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.408 ' CG1' ' N ' ' A' ' 53' ' ' THR . 98.7 t -77.1 156.98 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.408 ' N ' ' CG1' ' A' ' 52' ' ' VAL . 34.7 p -107.94 -176.6 3.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.147 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.507 ' O ' ' ND2' ' A' ' 58' ' ' ASN . 9.8 t0 -92.37 -29.6 16.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.3 mttt -70.43 -37.38 74.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -63.24 -60.5 3.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.844 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.441 HG21 ' NE2' ' A' ' 45' ' ' GLN . 20.3 m -55.1 -33.18 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.092 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 54' ' ' ASP . 26.4 m-20 -68.47 -39.44 81.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.465 ' HB3' ' CB ' ' A' ' 62' ' ' LEU . 4.2 m-20 -51.06 107.43 0.82 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.648 0.737 . . . . 0.0 110.915 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -29.7 23.59 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.67 2.246 . . . . 0.0 112.342 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.0 ppt_? -100.6 26.65 6.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.465 ' CB ' ' HB3' ' A' ' 59' ' ' ASP . 15.1 tp -110.36 134.52 52.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 81.1 t -96.45 102.03 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.562 ' CE3' HG13 ' A' ' 34' ' ' VAL . 62.8 t90 -91.01 132.43 36.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.948 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -121.66 148.43 44.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.914 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.466 ' O ' ' C ' ' A' ' 67' ' ' ALA . 30.7 p -98.74 142.05 30.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.876 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.466 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -32.2 -51.25 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -37.86 -50.03 1.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.413 ' SG ' ' O ' ' A' ' 66' ' ' CYS . 21.5 p -89.0 -50.34 6.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 89.1 m . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 -179.98 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.878 0.37 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' A' ' 24' ' ' GLN . . . -114.06 138.95 49.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.062 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.474 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.3 p -63.51 -176.51 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.548 HG11 ' CZ ' ' A' ' 43' ' ' TYR . 1.3 p -105.9 -21.13 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.157 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.48 ' CB ' ' HB3' ' A' ' 47' ' ' CYS . 58.6 t -65.82 -75.24 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.116 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 16.9 p -90.6 -14.43 32.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.7 mtm-85 63.91 53.89 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.424 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 53.8 mm-40 -135.32 171.39 14.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -113.93 -9.59 13.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.0 m -52.43 118.23 3.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.9 m -135.12 -178.12 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.078 179.908 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.826 0.346 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.565 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 11.5 mt -105.83 161.24 14.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.946 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.565 HG12 ' CE3' ' A' ' 64' ' ' TRP . 16.1 t -140.28 155.35 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -126.12 130.69 51.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.415 ' SG ' ' N ' ' A' ' 37' ' ' GLN . 42.0 t -75.91 163.68 26.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.431 ' O ' ' CE1' ' A' ' 40' ' ' HIS . 8.7 mm-40 -102.72 -34.33 9.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.489 ' O ' ' CD2' ' A' ' 40' ' ' HIS . 3.6 tp10 -77.11 -62.36 1.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.462 ' C ' ' CD2' ' A' ' 40' ' ' HIS . 1.8 m -82.3 -33.44 29.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.847 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.489 ' CD2' ' O ' ' A' ' 38' ' ' GLU . 17.1 m-70 75.0 36.6 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -103.01 152.32 21.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.474 ' CB ' ' HA ' ' A' ' 19' ' ' CYS . 71.5 mt -87.13 128.0 35.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.548 ' CZ ' HG11 ' A' ' 20' ' ' VAL . 28.6 m-85 -134.66 117.55 16.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.565 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.4 m80 -60.67 128.37 36.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -38.89 -25.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.951 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 44' ' ' HIS . 14.7 t70 -96.82 -63.78 1.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.48 ' HB3' ' CB ' ' A' ' 21' ' ' VAL . 92.4 m -35.79 -40.28 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.8 t-80 -61.77 157.19 18.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.612 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 13.3 mmtp -61.24 -68.69 0.73 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.573 0.701 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.612 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.9 Cg_endo -69.76 109.05 2.22 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.714 2.276 . . . . 0.0 112.362 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -46.71 103.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 26.7 t -75.92 123.49 32.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.7 p -85.68 159.99 19.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 55' ' ' LYS . 5.6 t0 -60.33 -58.32 9.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 54' ' ' ASP . 10.8 tttt -32.96 -37.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.854 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 54' ' ' ASP . 4.2 mm-40 -77.64 -57.75 3.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -46.76 -33.26 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.14 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -68.17 -55.01 13.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -41.28 101.83 0.25 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.621 0.724 . . . . 0.0 110.881 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -32.27 18.93 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.699 2.266 . . . . 0.0 112.341 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.8 mtt85 -95.81 29.46 2.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.2 tp -105.07 125.46 51.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.502 HG13 ' CZ ' ' A' ' 65' ' ' TYR . 96.2 t -83.31 100.96 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.565 ' CE3' HG12 ' A' ' 34' ' ' VAL . 16.5 t90 -87.61 147.28 25.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.502 ' CZ ' HG13 ' A' ' 63' ' ' VAL . 22.8 m-85 -135.3 144.38 46.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.465 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 30.6 p -99.28 143.23 29.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -34.66 -47.94 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -39.86 -49.91 2.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.465 ' SG ' ' O ' ' A' ' 66' ' ' CYS . 15.0 p -86.88 -47.22 9.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 50.8 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 -179.965 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -174.67 108.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.877 0.37 . . . . 0.0 110.89 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.8 p -104.12 130.76 51.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.25 142.09 9.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -114.75 155.56 26.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.881 0.372 . . . . 0.0 110.875 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -136.53 126.48 25.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.74 137.31 9.5 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -123.17 160.93 25.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.804 0.335 . . . . 0.0 111.1 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -97.63 175.87 6.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -115.96 123.48 48.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -159.27 166.55 31.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -39.69 -49.45 2.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.076 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 11.3 mmt -50.73 -40.48 54.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 15' ' ' MET . 8.8 tp10 -55.92 -53.7 53.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 14' ' ' GLU . 1.8 mpt? -35.88 -47.37 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.37 38.71 38.03 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.464 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.468 HD13 ' CG ' ' A' ' 25' ' ' MET . 4.6 pp -112.24 19.77 17.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 110.92 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -101.36 149.89 23.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.471 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.7 p -62.43 -179.32 0.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.545 HG12 ' CZ ' ' A' ' 43' ' ' TYR . 0.8 OUTLIER -104.09 -17.48 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.481 ' CB ' ' HB3' ' A' ' 47' ' ' CYS . 95.3 t -69.54 -75.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.092 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.1 p -91.71 -12.25 34.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.1 mtp180 62.46 54.79 2.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 -132.44 175.07 9.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.468 ' CG ' HD13 ' A' ' 17' ' ' LEU . 2.5 mpp? -118.14 -11.96 10.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.0 m -51.2 122.68 8.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.6 m -137.69 165.89 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.1 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -174.69 168.97 3.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.5 m -43.24 101.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.43 -41.31 2.18 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.523 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -94.02 44.88 1.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.815 0.341 . . . . 0.0 110.896 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -79.18 -174.68 4.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.565 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 12.7 mt -109.16 156.52 19.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.53 HG13 ' CD2' ' A' ' 64' ' ' TRP . 4.7 t -137.47 151.82 26.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.059 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -120.98 126.42 49.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 23.1 t -71.31 161.9 30.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.513 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 25.8 mm-40 -98.78 -26.65 14.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.78 -70.57 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.9 p -73.08 -22.79 60.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 62.66 34.39 14.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -100.21 151.24 21.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.471 ' CB ' ' HA ' ' A' ' 19' ' ' CYS . 55.7 mt -85.1 129.87 34.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.545 ' CZ ' HG12 ' A' ' 20' ' ' VAL . 29.7 m-85 -134.14 114.4 13.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.565 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.6 m80 -60.01 124.39 20.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.852 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 44' ' ' HIS . 12.1 mt-30 -35.58 -30.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 44' ' ' HIS . 39.6 t0 -90.23 -64.85 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.481 ' HB3' ' CB ' ' A' ' 21' ' ' VAL . 86.2 m -36.38 -39.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -63.55 155.02 30.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.608 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 2.5 mtpt -60.44 -68.43 0.78 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.602 0.715 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.608 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.3 Cg_endo -69.81 107.6 1.9 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.717 2.278 . . . . 0.0 112.322 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -46.6 101.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 19.5 t -74.26 134.54 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.404 ' O ' ' OE1' ' A' ' 45' ' ' GLN . 35.1 p -89.89 158.79 17.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.428 ' O ' ' CG2' ' A' ' 57' ' ' VAL . 11.1 t0 -63.9 -35.54 80.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.849 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -64.79 -39.55 93.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -59.22 -54.52 45.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.463 HG23 ' N ' ' A' ' 58' ' ' ASN . 23.0 m -56.74 -37.74 54.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.463 ' N ' HG23 ' A' ' 57' ' ' VAL . 47.2 m-20 -65.3 -47.43 76.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -42.04 102.31 0.27 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.641 0.734 . . . . 0.0 110.83 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -27.79 25.86 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.666 2.244 . . . . 0.0 112.351 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -100.18 25.65 7.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.9 tp -106.47 137.06 45.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.965 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.7 p -99.19 101.81 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.53 ' CD2' HG13 ' A' ' 34' ' ' VAL . 12.4 t90 -89.24 133.12 34.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.513 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 10.1 m-85 -134.02 117.8 17.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.2 p -65.57 144.17 57.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -39.32 -56.19 1.59 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.069 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 67' ' ' ALA . 13.3 mmt180 -35.1 -38.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 88.7 m -88.29 -50.78 6.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 34.2 m -45.79 -42.67 12.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -71.03 -36.01 72.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.831 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -70.19 -64.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.448 ' HE2' ' CD2' ' A' ' 65' ' ' TYR . 7.2 mtt -38.92 -37.06 0.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -68.87 94.83 0.65 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 48.2 ptt85 -106.01 -43.26 4.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.8 mmt -50.67 -19.85 1.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 78' ' ' GLN . . . 42.63 52.65 4.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.078 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 77' ' ' ALA . 21.2 pt20 34.4 38.36 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -112.08 177.85 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -51.02 134.19 26.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -92.35 117.86 30.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.02 -53.1 7.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.1 t -150.32 146.01 26.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.796 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 158.96 121.64 0.63 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 118.8 5.9 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.728 2.285 . . . . 0.0 112.371 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.8 t -74.61 124.25 26.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.8 t -127.56 161.71 28.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.152 -0.804 . . . . 0.0 112.487 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 1' ' ' GLY . 75.3 p 35.56 42.26 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.37 . . . . 0.0 110.831 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.2 p -109.21 102.22 11.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.856 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.03 -179.17 47.29 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.481 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.0 t -163.2 160.67 24.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.86 0.362 . . . . 0.0 110.817 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 m -128.72 168.68 15.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.01 -162.91 54.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -135.78 171.75 14.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.806 0.336 . . . . 0.0 111.107 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -157.98 126.59 5.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -41.03 147.65 0.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.828 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.413 ' O ' ' C ' ' A' ' 12' ' ' ALA . 3.1 t80 -156.28 150.91 25.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 13' ' ' MET . . . -36.89 -45.9 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 12' ' ' ALA . 4.4 mtt -35.86 -45.69 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -40.78 -61.46 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 31.5 mmt -65.88 -39.85 91.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 64.37 45.39 93.48 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.447 ' C ' ' CD1' ' A' ' 42' ' ' LEU . 4.6 pp -116.7 16.73 15.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.818 0.342 . . . . 0.0 110.95 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.08 151.13 21.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.08 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.484 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -64.67 -177.38 0.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.53 HG11 ' CZ ' ' A' ' 43' ' ' TYR . 0.4 OUTLIER -104.77 -18.96 6.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.466 ' CB ' ' HB3' ' A' ' 47' ' ' CYS . 86.0 t -67.42 -76.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.0 p -92.24 -6.62 50.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.466 ' HD2' ' N ' ' A' ' 23' ' ' ARG . 2.4 mpt_? 56.12 55.05 7.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -134.98 -179.49 5.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 37.9 mtm -122.95 -8.93 8.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.2 m -53.15 118.25 3.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.9 m -132.18 -176.14 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.081 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 30' ' ' GLY . . . -160.96 148.49 15.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.08 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 28' ' ' ALA . 31.0 t -34.83 -32.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 28' ' ' ALA . . . -100.27 -41.03 2.88 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.473 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -99.27 88.8 4.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 110.85 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.47 ' HB2' ' NE2' ' A' ' 45' ' ' GLN . 14.5 mm100 -100.54 -174.75 2.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.578 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 4.9 mt -103.61 152.81 21.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.579 HG11 ' CE3' ' A' ' 64' ' ' TRP . 21.2 t -128.53 158.1 40.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -128.66 130.46 47.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.9 t -75.61 162.32 28.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.543 ' N ' ' CD ' ' A' ' 37' ' ' GLN . 1.7 mm100 -98.89 -29.15 13.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -86.52 -70.05 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.6 p -72.93 -24.02 60.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 62.48 36.35 14.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.827 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -102.48 145.46 29.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.484 ' CB ' ' HA ' ' A' ' 19' ' ' CYS . 42.4 mt -80.05 129.92 34.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.53 ' CZ ' HG11 ' A' ' 20' ' ' VAL . 28.8 m-85 -133.48 114.62 13.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.578 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.9 m80 -58.68 123.63 17.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.807 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.47 ' NE2' ' HB2' ' A' ' 32' ' ' GLN . 88.0 mt-30 -34.98 -31.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 44' ' ' HIS . 14.3 t70 -89.45 -63.55 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.466 ' HB3' ' CB ' ' A' ' 21' ' ' VAL . 79.8 m -36.07 -42.65 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -60.04 156.56 14.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.603 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 21.6 mtmt -60.54 -68.88 0.66 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.538 0.685 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.603 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 54.0 Cg_endo -69.75 111.0 2.69 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.714 2.276 . . . . 0.0 112.38 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -47.1 102.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.2 t -79.18 133.29 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 74.4 p -105.11 165.6 10.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 55' ' ' LYS . 11.0 m-20 -57.66 -53.54 57.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.466 ' N ' ' HD3' ' A' ' 55' ' ' LYS . 6.9 mmtt -33.73 -44.08 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -64.11 -74.03 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.2 m -42.14 -35.24 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.113 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 38.8 m-20 -63.7 -46.81 83.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -56.47 109.2 1.53 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.624 0.726 . . . . 0.0 110.839 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -41.47 4.24 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.66 2.24 . . . . 0.0 112.396 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -86.9 30.17 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.5 tp -108.17 130.99 55.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.441 HG21 ' CE2' ' A' ' 65' ' ' TYR . 10.0 p -95.97 103.15 14.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.579 ' CE3' HG11 ' A' ' 34' ' ' VAL . 27.2 t90 -89.13 131.37 35.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.441 ' CE2' HG21 ' A' ' 63' ' ' VAL . 18.2 m-85 -128.03 126.53 41.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 67' ' ' ALA . 15.8 p -77.6 142.4 38.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -36.62 -55.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 67' ' ' ALA . 19.7 mmt-85 -34.36 -43.11 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 88.4 m -83.39 -48.31 10.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.9 m -47.09 -40.08 14.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -74.88 -34.35 62.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -63.98 -66.45 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 9.5 mtt -42.64 -33.98 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -65.86 -43.56 88.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.458 ' NH1' ' HB3' ' A' ' 75' ' ' ARG . 8.7 mtp-105 -53.39 -48.29 68.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.411 ' C ' ' O ' ' A' ' 75' ' ' ARG . 2.3 tpt 37.5 36.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.98 43.55 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.139 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -118.74 159.75 23.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.4 tttp -74.02 104.68 4.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -45.04 144.33 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -149.35 152.96 36.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -74.34 86.64 1.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.9 t -122.62 -59.13 1.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 121.7 84.09 0.73 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.452 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 157.61 59.75 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.685 2.257 . . . . 0.0 112.335 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.6 m -63.17 175.78 0.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 59.8 p -89.36 -43.44 10.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.083 -0.843 . . . . 0.0 112.506 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.9 m -79.25 105.5 10.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.377 . . . . 0.0 110.856 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.7 p -65.65 106.82 1.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.26 -62.24 1.86 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.48 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.7 m -61.8 124.86 21.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.847 0.356 . . . . 0.0 110.864 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.2 m -82.91 142.3 31.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.02 176.03 7.72 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -128.68 176.46 7.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 111.095 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.415 ' HA ' ' CD ' ' A' ' 14' ' ' GLU . 8.9 m-20 -162.88 147.69 11.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.2 t0 59.37 46.34 12.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.444 ' O ' ' C ' ' A' ' 12' ' ' ALA . 6.8 t80 -152.07 163.31 39.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 11' ' ' PHE . . . -34.29 -59.4 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.093 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -34.37 -58.44 0.48 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 15' ' ' MET . 4.4 mm-40 -56.18 -63.09 1.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.448 ' C ' ' O ' ' A' ' 14' ' ' GLU . 6.1 mmt -34.33 -43.94 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 69.81 50.84 27.68 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.43 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.94 22.38 9.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.756 0.313 . . . . 0.0 110.899 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 24' ' ' GLN . . . -103.92 142.96 33.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.47 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.4 p -58.91 -179.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.552 HG13 ' CZ ' ' A' ' 43' ' ' TYR . 0.8 OUTLIER -103.86 -15.61 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 179.861 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.464 ' CB ' ' HB3' ' A' ' 47' ' ' CYS . 99.8 t -70.79 -75.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.104 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.3 p -90.83 -14.14 32.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.6 mtp85 64.05 54.9 1.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.405 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 37.3 mt-30 -134.87 172.76 12.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.5 mtm -114.94 -7.16 12.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 99.7 m -54.63 129.41 36.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.8 m -144.94 175.49 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.175 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.53 164.76 37.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.5 m -39.04 -33.95 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -109.39 -40.97 1.42 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.526 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -86.89 74.87 9.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.34 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -97.82 -174.52 2.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.574 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 9.7 mt -105.72 166.35 10.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.571 HG13 ' CE3' ' A' ' 64' ' ' TRP . 14.5 t -145.55 149.24 16.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -119.97 126.62 51.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 35.9 t -71.58 162.86 28.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.534 ' N ' ' CD ' ' A' ' 37' ' ' GLN . 1.8 mm100 -99.07 -28.85 13.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -87.6 -70.28 0.64 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.5 p -73.03 -22.0 60.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 61.63 31.43 18.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -97.33 148.94 22.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.47 ' CB ' ' HA ' ' A' ' 19' ' ' CYS . 72.2 mt -84.21 129.57 34.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.552 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 33.2 m-85 -134.4 114.4 12.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.574 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.5 m80 -59.27 124.37 19.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 44' ' ' HIS . 16.2 mt-30 -34.92 -31.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 44' ' ' HIS . 24.9 t70 -89.98 -65.28 1.03 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.464 ' HB3' ' CB ' ' A' ' 21' ' ' VAL . 92.8 m -35.05 -39.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.419 ' O ' ' O ' ' A' ' 46' ' ' ASP . 2.1 t-80 -63.24 153.7 33.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.604 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 10.3 mptt -58.61 -68.37 0.72 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.634 0.73 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.604 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.9 Cg_endo -69.73 112.19 3.01 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.672 2.248 . . . . 0.0 112.366 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -49.62 100.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 33.1 t -77.8 130.53 36.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.9 p -96.4 163.09 13.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -63.2 -48.5 78.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -42.41 -25.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.443 ' O ' ' CD2' ' A' ' 62' ' ' LEU . 38.2 mt-10 -81.81 -69.9 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 19.0 m -50.8 -27.05 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.181 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -65.02 -38.41 90.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 62' ' ' LEU . 8.6 t70 -61.57 117.86 31.89 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.628 0.728 . . . . 0.0 110.823 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -37.15 9.77 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -101.81 38.2 1.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.505 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 1.9 tp -106.79 123.31 47.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.487 HG23 ' CE2' ' A' ' 65' ' ' TYR . 11.0 p -85.72 109.47 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.571 ' CE3' HG13 ' A' ' 34' ' ' VAL . 28.2 t90 -99.87 129.42 45.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.562 ' CE1' ' HE3' ' A' ' 73' ' ' MET . 19.3 m-85 -124.43 120.08 31.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 67' ' ' ALA . 15.9 p -74.64 141.22 44.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.482 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -33.54 -59.57 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.482 ' C ' ' O ' ' A' ' 67' ' ' ALA . 15.5 mmt180 -30.68 -45.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 83.9 m -83.86 -49.56 8.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.2 m -45.51 -41.51 9.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -63.03 -36.64 84.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -73.21 -64.58 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.562 ' HE3' ' CE1' ' A' ' 65' ' ' TYR . 31.4 mtt -36.93 -38.24 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -97.1 132.08 43.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -132.69 -42.59 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.1 mmt -87.16 30.64 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -112.9 35.03 4.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.084 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -147.49 169.01 20.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -88.22 130.69 35.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -49.69 165.18 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.456 ' O ' ' C ' ' A' ' 82' ' ' LYS . 6.8 tt0 -115.38 159.61 20.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 81' ' ' GLN . 13.0 tptp -33.96 128.88 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 t -122.17 147.15 46.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.43 ' N ' ' HD2' ' A' ' 85' ' ' PRO . . . -55.9 -61.85 6.98 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.43 ' HD2' ' N ' ' A' ' 84' ' ' GLY . 54.0 Cg_endo -69.74 4.21 2.32 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.719 2.279 . . . . 0.0 112.347 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 54.0 p -56.82 107.75 0.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.8 t -94.62 127.42 40.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.843 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.537 -179.972 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t -41.95 -47.8 4.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.885 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.6 p -61.32 153.32 26.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.46 153.21 29.34 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.52 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.3 p -99.87 41.75 1.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 0.0 110.872 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -94.31 -56.21 2.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.23 -127.81 1.21 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 61.56 41.75 12.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.767 0.317 . . . . 0.0 111.091 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -129.53 90.85 3.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.76 127.67 56.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -154.12 135.4 14.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 13' ' ' MET . . . -38.87 -47.38 1.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.08 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.427 ' C ' ' O ' ' A' ' 12' ' ' ALA . 17.2 mmt -36.33 -50.18 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -40.45 -60.99 0.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 22.4 mtt -51.87 -58.19 7.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.72 60.89 1.02 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.519 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.49 ' O ' ' CD1' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -123.74 24.17 8.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.796 0.331 . . . . 0.0 110.875 -179.885 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.436 ' O ' ' CD1' ' A' ' 42' ' ' LEU . . . -124.0 144.97 49.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.458 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -69.55 -177.92 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.518 HG12 ' CZ ' ' A' ' 43' ' ' TYR . 1.0 OUTLIER -104.73 -21.26 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.471 ' CB ' ' HB3' ' A' ' 47' ' ' CYS . 88.1 t -64.37 -75.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.427 ' C ' ' HD3' ' A' ' 23' ' ' ARG . 16.7 p -91.06 -6.07 54.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.427 ' HD3' ' C ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER 55.38 54.44 8.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -134.9 172.94 12.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -114.21 -15.74 12.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.0 m -44.15 123.85 3.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.4 m -140.56 175.91 5.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.02 166.58 3.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.8 t -48.45 123.65 6.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.7 -37.68 3.28 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.481 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -108.15 72.31 0.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.756 0.312 . . . . 0.0 110.932 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.471 ' HB2' ' NE2' ' A' ' 45' ' ' GLN . 21.5 mt-30 -98.3 -174.93 2.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.574 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 10.1 mt -97.27 160.59 14.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.574 HG13 ' CE3' ' A' ' 64' ' ' TRP . 22.0 t -140.35 160.94 25.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -134.07 134.29 42.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.404 ' SG ' ' N ' ' A' ' 37' ' ' GLN . 42.8 t -79.08 163.24 25.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.489 ' O ' ' CD2' ' A' ' 40' ' ' HIS . 11.4 mm-40 -97.57 -35.85 10.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -80.49 -69.65 0.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.29 -26.75 63.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.489 ' CD2' ' O ' ' A' ' 37' ' ' GLN . 34.2 m-70 63.14 39.58 9.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -106.7 150.18 26.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.458 ' CB ' ' HA ' ' A' ' 19' ' ' CYS . 52.8 mt -84.99 127.18 34.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.518 ' CZ ' HG12 ' A' ' 20' ' ' VAL . 30.2 m-85 -132.98 116.62 16.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.574 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.7 m80 -59.67 129.22 40.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.889 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.471 ' NE2' ' HB2' ' A' ' 32' ' ' GLN . 63.2 mt-30 -39.66 -25.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 44' ' ' HIS . 0.6 OUTLIER -97.16 -64.74 1.01 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.471 ' HB3' ' CB ' ' A' ' 21' ' ' VAL . 95.3 m -36.62 -40.42 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.552 ' CE1' ' HA ' ' A' ' 66' ' ' CYS . 1.9 t-80 -62.6 157.13 21.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.594 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 4.1 mptp? -59.92 -68.09 0.85 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.521 0.676 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.594 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 54.0 Cg_endo -69.75 109.51 2.33 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.72 2.28 . . . . 0.0 112.34 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -50.02 101.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.7 t -82.82 136.54 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 46.1 p -98.25 169.02 9.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 55' ' ' LYS . 8.5 p-10 -71.66 -57.85 4.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 54' ' ' ASP . 10.8 ttmt -35.24 -36.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 54' ' ' ASP . 23.1 mm-40 -77.14 -60.56 2.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -45.96 -29.95 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 59' ' ' ASP . 50.2 m-20 -64.04 -54.78 28.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.46 ' HB3' ' CB ' ' A' ' 62' ' ' LEU . 11.2 t0 -36.44 111.03 0.48 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.586 0.708 . . . . 0.0 110.898 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -37.93 8.68 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -94.18 32.3 1.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.46 ' CB ' ' HB3' ' A' ' 59' ' ' ASP . 4.9 tp -107.38 124.42 49.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.566 HG21 ' CE2' ' A' ' 65' ' ' TYR . 2.5 p -88.43 109.52 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.164 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.574 ' CE3' HG13 ' A' ' 34' ' ' VAL . 40.7 t90 -96.07 146.9 24.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.959 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.566 ' CE2' HG21 ' A' ' 63' ' ' VAL . 38.2 m-85 -134.22 155.43 50.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.552 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 22.7 p -105.7 138.04 42.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.491 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -30.45 -54.94 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 67' ' ' ALA . 2.5 mmp_? -33.7 -51.11 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 66' ' ' CYS . 26.2 p -88.11 -44.4 10.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.9 m -43.01 -48.26 5.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 71' ' ' ARG . 3.7 ptm85 -59.95 -36.26 76.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -69.09 -61.95 1.58 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.531 ' HE1' ' CE1' ' A' ' 65' ' ' TYR . 13.4 mtt -55.01 -38.93 68.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt -40.09 106.62 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -59.61 -62.63 1.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 10.7 mtp -42.82 -44.23 4.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -93.77 41.73 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.063 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -86.23 138.98 31.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.457 ' HD2' ' N ' ' A' ' 80' ' ' ASN . 2.2 tmmm? -149.93 148.15 28.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.457 ' N ' ' HD2' ' A' ' 79' ' ' LYS . 27.9 t30 -82.22 121.1 26.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.55 159.13 5.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 29.8 tttm -53.05 128.79 28.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.4 m -120.49 149.34 42.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -145.57 84.48 0.19 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.537 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 147.04 62.53 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.67 2.247 . . . . 0.0 112.338 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.3 t -116.43 93.14 4.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.9 p -40.54 -43.67 1.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 CA-C-O 119.125 -0.82 . . . . 0.0 112.479 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 1' ' ' GLY . 73.0 m 37.2 42.11 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.867 0.365 . . . . 0.0 110.856 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.6 p -53.4 152.25 4.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.84 -175.48 15.73 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -134.91 126.42 28.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 0.0 110.877 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -165.81 162.88 18.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.06 -128.77 8.72 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.486 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 60.77 37.3 18.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.826 0.346 . . . . 0.0 111.142 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -125.35 38.77 4.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.55 126.94 36.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.21 -71.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 14' ' ' GLU . . . -103.79 -46.97 4.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.083 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.427 ' C ' ' O ' ' A' ' 12' ' ' ALA . 10.3 mtm -36.32 -31.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 12' ' ' ALA . 6.7 tp10 -70.91 -61.15 1.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.446 ' C ' ' O ' ' A' ' 14' ' ' GLU . 34.0 mtp -34.41 -40.49 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.57 62.27 1.4 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.439 ' CD2' ' HB2' ' A' ' 15' ' ' MET . 0.5 OUTLIER -124.93 24.66 7.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.812 0.339 . . . . 0.0 110.917 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -117.61 141.51 48.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.478 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.3 p -62.62 -178.62 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.533 HG11 ' CZ ' ' A' ' 43' ' ' TYR . 1.2 p -104.9 -21.44 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.477 ' CB ' ' HB3' ' A' ' 47' ' ' CYS . 82.3 t -64.16 -75.04 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.4 p -90.9 -11.2 39.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 61.31 52.26 3.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -133.06 172.96 11.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -115.46 -10.71 11.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.7 m -50.4 122.32 6.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.123 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.0 m -137.86 -178.1 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -152.55 -175.5 5.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.7 p -66.57 -43.91 83.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.82 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.03 -32.18 8.06 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.508 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -104.18 95.56 6.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.33 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -108.67 -175.29 2.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.582 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 8.9 mt -98.69 170.18 8.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.566 HG11 ' CE3' ' A' ' 64' ' ' TRP . 14.0 t -151.32 154.36 8.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -126.84 127.63 45.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.6 t -70.33 163.24 27.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -103.45 -32.65 9.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.956 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.436 ' O ' ' CD2' ' A' ' 40' ' ' HIS . 2.1 tp10 -78.62 -59.39 2.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.44 ' C ' ' CD2' ' A' ' 40' ' ' HIS . 2.0 m -84.2 -32.27 24.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.44 ' CD2' ' C ' ' A' ' 39' ' ' CYS . 17.3 m-70 74.13 37.71 0.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -107.0 151.29 25.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.478 ' CB ' ' HA ' ' A' ' 19' ' ' CYS . 93.6 mt -86.12 128.87 34.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.945 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.533 ' CZ ' HG11 ' A' ' 20' ' ' VAL . 27.1 m-85 -134.52 116.13 14.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.582 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.4 m80 -60.34 125.62 24.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.826 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.464 ' HG2' ' CG1' ' A' ' 52' ' ' VAL . 88.5 mt-30 -35.84 -29.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 44' ' ' HIS . 3.4 t70 -91.63 -64.56 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.477 ' HB3' ' CB ' ' A' ' 21' ' ' VAL . 84.8 m -36.9 -38.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.482 ' CE1' ' HA ' ' A' ' 66' ' ' CYS . 1.8 t-80 -63.9 159.92 18.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.596 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 0.2 OUTLIER -63.95 -68.06 0.9 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.538 0.685 . . . . 0.0 110.909 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.596 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 54.0 Cg_endo -69.75 110.07 2.46 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.695 2.264 . . . . 0.0 112.36 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -48.45 103.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.464 ' CG1' ' HG2' ' A' ' 45' ' ' GLN . 86.4 t -76.56 128.7 37.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 58.7 p -94.36 166.61 11.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -65.11 -57.64 8.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 54' ' ' ASP . 3.4 ttmm -33.52 -38.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 54' ' ' ASP . 15.0 mt-10 -74.86 -61.61 1.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.431 ' HB ' ' NE2' ' A' ' 45' ' ' GLN . 0.3 OUTLIER -44.35 -32.52 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -62.6 -55.7 24.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.459 ' HB3' ' CB ' ' A' ' 62' ' ' LEU . 6.7 t70 -41.86 102.67 0.27 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.596 0.712 . . . . 0.0 110.856 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 59' ' ' ASP . 53.7 Cg_endo -69.78 -30.73 21.74 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.679 2.253 . . . . 0.0 112.366 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -100.4 29.27 4.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.459 ' CB ' ' HB3' ' A' ' 59' ' ' ASP . 12.9 tp -99.61 133.17 44.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 86.7 t -90.39 97.02 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.566 ' CE3' HG11 ' A' ' 34' ' ' VAL . 27.5 t90 -85.45 144.71 27.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.558 ' CE1' ' HE2' ' A' ' 73' ' ' MET . 19.2 m-85 -132.88 145.29 50.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.938 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.482 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 26.0 p -98.98 140.63 32.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.87 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.474 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -28.83 -56.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.073 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 67' ' ' ALA . 8.5 mmt180 -33.4 -53.24 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 72' ' ' GLN . 21.3 p -85.3 -49.9 7.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.2 m -38.63 -45.69 1.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.457 ' CZ ' ' HA ' ' A' ' 68' ' ' ARG . 5.9 mtm180 -64.9 -38.9 92.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 69' ' ' CYS . 21.0 mm-40 -68.97 -61.66 1.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.558 ' HE2' ' CE1' ' A' ' 65' ' ' TYR . 10.1 mtt -49.78 -38.43 34.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.3 mmtm -77.82 99.03 5.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 76' ' ' MET . 11.5 ptp180 -127.61 -40.61 1.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.413 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 31.5 ttp 47.08 43.41 14.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -133.27 73.96 1.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -85.01 138.83 32.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 33.5 tttm -61.9 144.33 55.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -51.88 121.3 6.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -145.92 162.35 37.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.418 ' C ' ' HD3' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -72.69 -39.18 67.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 89.0 p -38.17 123.93 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.844 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.05 -94.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.459 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 157.05 61.81 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.72 2.28 . . . . 0.0 112.346 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.9 t -172.19 129.61 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 35.3 p -104.13 120.41 41.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.46 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 t -102.2 83.22 2.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.91 0.386 . . . . 0.0 110.879 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -162.72 140.52 8.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.91 -128.46 1.55 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.512 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.8 p -162.19 162.4 28.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 0.0 110.862 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.5 m -125.36 121.58 34.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.17 -174.6 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -101.67 176.54 5.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.78 0.324 . . . . 0.0 111.128 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -152.88 143.86 22.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -38.47 147.84 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -155.37 163.48 40.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.59 -35.67 76.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.5 tpp -43.72 -40.15 4.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -93.24 -72.65 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 18.4 mtt -54.11 -62.68 1.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.81 40.1 27.01 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.469 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 pp -116.75 19.42 14.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.814 0.34 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.27 146.45 26.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.075 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.438 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -66.38 -174.4 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.519 HG13 ' CZ ' ' A' ' 43' ' ' TYR . 0.7 OUTLIER -108.77 -18.58 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.149 179.93 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.473 ' CB ' ' HB3' ' A' ' 47' ' ' CYS . 90.1 t -68.72 -75.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.4 p -89.45 -15.33 33.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 66.08 50.27 1.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -129.09 171.75 12.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 66.0 mtm -118.32 -4.27 10.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.1 m -59.32 121.37 11.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.8 m -132.66 -179.3 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -154.07 172.62 17.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.8 p -47.66 -49.59 27.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.818 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -97.45 -35.6 5.15 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.493 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -89.58 82.25 6.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.328 . . . . 0.0 110.917 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -103.48 -176.22 3.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.581 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 6.5 mt -100.88 158.18 16.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.52 HG13 ' CD2' ' A' ' 64' ' ' TRP . 3.1 t -130.66 155.9 42.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -128.81 119.83 25.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 24.9 t -65.17 161.31 19.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.543 ' N ' ' CD ' ' A' ' 37' ' ' GLN . 1.5 mm100 -99.5 -26.92 13.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -87.23 -69.13 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.5 p -74.36 -21.64 59.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 62.42 32.82 16.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -97.23 150.1 21.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.438 ' CB ' ' HA ' ' A' ' 19' ' ' CYS . 68.4 mt -87.69 126.64 35.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.519 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 37.2 m-85 -131.75 121.65 24.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.581 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.0 m80 -64.31 128.54 36.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.883 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.439 ' NE2' HG21 ' A' ' 57' ' ' VAL . 58.2 mt-30 -38.81 -25.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.95 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 44' ' ' HIS . 29.8 t70 -96.55 -62.9 1.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.473 ' HB3' ' CB ' ' A' ' 21' ' ' VAL . 87.6 m -36.14 -40.92 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -60.9 155.3 20.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.611 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 13.5 mtmm -59.52 -69.07 0.59 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.596 0.712 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.611 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.7 Cg_endo -69.76 112.77 3.17 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -47.85 103.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 36.7 t -77.69 131.43 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.3 p -85.36 -176.18 6.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.159 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.507 ' O ' ' ND2' ' A' ' 58' ' ' ASN . 19.6 m-20 -89.06 -32.01 17.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -70.12 -38.25 75.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.42 ' CD ' HD23 ' A' ' 62' ' ' LEU . 6.1 mm-40 -58.68 -61.04 2.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.439 HG21 ' NE2' ' A' ' 45' ' ' GLN . 6.0 m -56.74 -34.0 42.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 54' ' ' ASP . 1.9 m-80 -63.56 -57.96 8.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.405 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 3.7 t70 -41.2 101.85 0.25 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.55 0.69 . . . . 0.0 110.89 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 59' ' ' ASP . 53.7 Cg_endo -69.76 -10.66 29.1 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.675 2.25 . . . . 0.0 112.318 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.29 5.75 40.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.857 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.42 HD23 ' CD ' ' A' ' 56' ' ' GLU . 16.1 tp -97.19 138.83 34.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.553 ' CG2' ' CE2' ' A' ' 65' ' ' TYR . 1.9 p -100.37 107.56 21.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.52 ' CD2' HG13 ' A' ' 34' ' ' VAL . 7.6 t90 -87.04 133.26 33.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.553 ' CE2' ' CG2' ' A' ' 63' ' ' VAL . 13.6 m-85 -133.54 115.11 14.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 18.2 p -65.51 148.09 52.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.459 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -38.6 -56.81 1.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.459 ' C ' ' O ' ' A' ' 67' ' ' ALA . 6.0 mmt180 -33.45 -41.81 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 85.8 m -87.76 -47.73 8.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.0 m -45.95 -44.86 15.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -59.83 -34.9 73.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -72.33 -62.46 1.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.422 ' HE1' ' CD2' ' A' ' 65' ' ' TYR . 12.0 mtt -49.13 -40.47 32.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 41.3 mttt -46.76 163.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.49 ' O ' ' N ' ' A' ' 77' ' ' ALA . 24.3 ptt180 -67.38 -47.48 70.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 40.5 ttm -39.03 -26.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . -119.95 67.68 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -92.01 114.93 27.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.3 mttp -165.01 165.11 20.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -46.52 102.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.849 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -126.26 145.72 50.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 35.3 tttm -86.94 82.95 7.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.8 t -171.16 127.39 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -89.24 -150.58 22.82 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.46 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 147.72 63.5 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.656 2.238 . . . . 0.0 112.364 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.5 m -99.85 172.37 7.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 54.8 p -121.69 177.38 5.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.486 -179.94 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -98.77 132.56 44.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.924 0.392 . . . . 0.0 110.851 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.0 p -171.92 147.29 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.37 99.8 0.17 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.456 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.4 m -80.94 135.03 35.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.931 0.396 . . . . 0.0 110.862 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -84.86 88.87 7.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.8 137.17 2.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.553 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -172.97 174.04 3.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.761 0.315 . . . . 0.0 111.129 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -70.55 149.46 47.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -45.95 147.16 1.05 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -159.17 141.03 13.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 13' ' ' MET . . . -43.43 -41.4 4.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.436 ' O ' ' C ' ' A' ' 14' ' ' GLU . 2.0 tmm? -36.94 -47.0 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 13' ' ' MET . 5.6 mm-40 -35.17 -63.61 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.453 ' HB2' ' CD2' ' A' ' 17' ' ' LEU . 83.9 mmm -91.96 -48.58 6.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.57 63.44 1.48 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.467 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.453 ' CD2' ' HB2' ' A' ' 15' ' ' MET . 0.2 OUTLIER -122.43 16.95 10.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.844 0.354 . . . . 0.0 110.952 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -103.81 149.7 24.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.082 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.469 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -64.27 -176.44 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.926 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.528 HG13 ' CZ ' ' A' ' 43' ' ' TYR . 0.5 OUTLIER -106.36 -18.43 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.12 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.476 ' CB ' ' HB3' ' A' ' 47' ' ' CYS . 68.3 t -68.51 -75.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.7 p -90.92 -13.17 34.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 63.05 53.33 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -130.51 175.93 8.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.5 mtm -123.33 0.47 8.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.0 m -63.52 120.83 12.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.15 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.2 m -135.54 168.96 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -174.31 172.92 3.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.087 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.2 t -52.12 117.23 2.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.2 -25.95 17.67 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.49 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -120.93 69.83 0.9 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -97.29 -175.48 3.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.577 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 11.2 mt -103.55 155.28 18.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.537 HG11 ' CE3' ' A' ' 64' ' ' TRP . 10.6 t -133.0 159.66 43.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -129.79 125.65 36.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 44.6 t -72.06 159.95 33.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.417 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 21.3 mm-40 -98.34 -28.25 13.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -86.55 -70.51 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.2 p -71.91 -22.94 61.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 62.65 36.18 13.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -103.69 150.33 24.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.469 ' CB ' ' HA ' ' A' ' 19' ' ' CYS . 25.0 mt -84.52 128.6 34.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.976 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.528 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 23.6 m-85 -131.91 118.8 20.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.577 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.5 m80 -64.58 123.59 19.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.883 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 44' ' ' HIS . 91.4 mt-30 -35.38 -30.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.512 ' N ' ' O ' ' A' ' 44' ' ' HIS . 38.0 t70 -89.9 -62.54 1.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.476 ' HB3' ' CB ' ' A' ' 21' ' ' VAL . 90.7 m -38.94 -38.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.477 ' CE1' ' HA ' ' A' ' 66' ' ' CYS . 1.8 t-160 -64.49 166.77 7.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.574 ' HG3' ' N ' ' A' ' 50' ' ' PRO . 1.2 tppt? -72.82 -63.25 1.14 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.591 0.71 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.574 ' N ' ' HG3' ' A' ' 49' ' ' LYS . 54.3 Cg_endo -69.75 106.85 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.707 2.272 . . . . 0.0 112.342 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -46.0 98.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.458 HG13 ' N ' ' A' ' 53' ' ' THR . 38.5 t -83.55 143.46 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.458 ' N ' HG13 ' A' ' 52' ' ' VAL . 67.9 p -113.75 175.7 5.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.448 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 0.5 OUTLIER -69.77 -54.73 12.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.847 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.5 tttm -39.04 -30.24 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 54' ' ' ASP . 10.5 mm-40 -72.75 -72.4 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.407 ' CG1' HG21 ' A' ' 34' ' ' VAL . 15.1 m -47.46 -29.19 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -61.67 -43.24 99.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -62.74 110.69 3.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.57 0.7 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -38.12 8.21 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.667 2.244 . . . . 0.0 112.367 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 76.2 mtm-85 -85.35 27.77 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 tp -105.22 142.8 34.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.537 HG13 ' CE2' ' A' ' 65' ' ' TYR . 92.9 t -107.2 106.74 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.537 ' CE3' HG11 ' A' ' 34' ' ' VAL . 10.0 t90 -96.37 133.88 40.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.537 ' CE2' HG13 ' A' ' 63' ' ' VAL . 20.2 m-85 -133.36 118.11 18.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.477 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 14.7 p -69.02 139.8 54.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.489 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -33.61 -59.34 0.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.489 ' C ' ' O ' ' A' ' 67' ' ' ALA . 2.5 mmm180 -30.25 -46.85 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.831 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 84.3 m -81.47 -49.21 10.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.1 m -45.56 -45.83 13.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.132 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -57.75 -29.74 65.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -76.27 -56.58 4.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.94 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.508 ' HE1' ' CG ' ' A' ' 65' ' ' TYR . 21.2 mtt -49.63 -37.12 26.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 73' ' ' MET . 41.1 mmtt -34.15 149.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.407 ' O ' ' NE2' ' A' ' 78' ' ' GLN . 18.2 ptt180 -71.77 -40.67 69.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -85.34 29.83 0.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -114.7 42.89 2.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.407 ' NE2' ' O ' ' A' ' 75' ' ' ARG . 0.4 OUTLIER -143.5 142.21 31.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.95 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -115.54 40.86 2.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -156.87 168.09 28.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -63.73 171.21 2.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.06 165.37 26.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.9 t -96.3 175.73 6.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -58.33 -70.03 1.1 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 124.16 10.82 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.72 2.28 . . . . 0.0 112.376 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 t -99.72 141.51 32.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.817 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.6 t -62.21 125.41 23.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.914 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.457 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.5 m -79.15 141.81 36.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 110.86 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -97.59 -47.56 5.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.51 50.71 0.86 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.448 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.8 p -55.14 171.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.931 0.396 . . . . 0.0 110.815 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -78.72 -55.96 4.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.816 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.48 -103.09 0.41 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.458 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -162.76 167.55 22.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.78 0.324 . . . . 0.0 111.097 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -72.81 142.81 48.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -54.83 118.03 3.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.431 ' CG ' ' N ' ' A' ' 12' ' ' ALA . 54.0 t80 -154.38 171.2 19.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.431 ' N ' ' CG ' ' A' ' 11' ' ' PHE . . . -36.68 -44.75 0.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.105 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.6 tpt -45.18 -54.21 7.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 15' ' ' MET . 13.7 tt0 -69.03 -47.65 64.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.47 ' HB2' ' CD2' ' A' ' 17' ' ' LEU . 17.4 mmt -34.89 -46.43 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.867 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.83 68.51 1.43 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.47 ' CD2' ' HB2' ' A' ' 15' ' ' MET . 0.4 OUTLIER -125.87 22.74 7.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 0.0 110.925 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -109.82 145.02 37.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.133 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.466 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.3 p -64.38 -179.17 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.537 HG12 ' CZ ' ' A' ' 43' ' ' TYR . 0.8 OUTLIER -105.74 -16.52 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.467 ' CB ' ' HB3' ' A' ' 47' ' ' CYS . 87.3 t -68.69 -75.17 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.9 p -90.49 -11.57 39.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 62.73 53.31 2.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -131.33 168.29 17.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.3 mtm -112.05 -18.59 12.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.424 ' O ' ' NE2' ' A' ' 44' ' ' HIS . 15.1 t -50.74 147.69 4.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.155 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.7 m -153.81 -175.15 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 29' ' ' SER . . . -146.03 146.41 30.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.035 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 28' ' ' ALA . 8.2 t -36.29 -37.07 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.56 -54.7 1.64 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.514 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -88.25 101.86 14.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.777 0.322 . . . . 0.0 110.924 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -108.36 -174.34 2.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.589 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 6.8 mt -95.36 159.24 15.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.567 HG11 ' CE3' ' A' ' 64' ' ' TRP . 39.9 t -138.1 156.2 30.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -128.29 131.3 48.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.6 t -75.92 163.5 27.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.475 ' O ' ' CD2' ' A' ' 40' ' ' HIS . 20.0 mm-40 -99.58 -35.27 9.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.425 ' OE1' ' C ' ' A' ' 38' ' ' GLU . 1.8 tm-20 -80.34 -66.95 0.82 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 m -74.18 -25.44 59.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.475 ' CD2' ' O ' ' A' ' 37' ' ' GLN . 33.6 m-70 62.88 38.07 11.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -106.22 149.62 26.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.466 ' CB ' ' HA ' ' A' ' 19' ' ' CYS . 76.2 mt -85.47 128.38 34.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.537 ' CZ ' HG12 ' A' ' 20' ' ' VAL . 28.8 m-85 -133.8 113.53 12.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.589 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.3 m80 -56.63 126.2 25.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.821 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.483 ' NE2' HG21 ' A' ' 57' ' ' VAL . 18.5 mt-30 -36.49 -29.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 44' ' ' HIS . 1.8 t0 -92.7 -65.43 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.467 ' HB3' ' CB ' ' A' ' 21' ' ' VAL . 90.9 m -35.15 -39.2 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.407 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.8 t-80 -61.03 158.24 13.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.592 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 0.8 OUTLIER -63.38 -68.06 0.91 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.572 0.701 . . . . 0.0 110.929 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.592 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.9 Cg_endo -69.8 111.3 2.78 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.368 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -47.0 101.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.442 ' C ' ' OE1' ' A' ' 45' ' ' GLN . 50.7 t -76.31 147.99 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.423 ' C ' ' OE1' ' A' ' 45' ' ' GLN . 38.4 p -106.05 172.89 6.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 56' ' ' GLU . 0.6 OUTLIER -73.53 -55.66 6.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -34.71 -34.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.475 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 8.1 mt-10 -68.91 -66.85 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.483 HG21 ' NE2' ' A' ' 45' ' ' GLN . 1.4 t -40.83 -40.82 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -63.42 -56.41 16.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -40.02 101.08 0.23 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.621 0.724 . . . . 0.0 110.854 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -28.6 25.03 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.634 2.223 . . . . 0.0 112.378 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -101.35 28.25 5.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.6 tp -104.67 136.48 44.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.528 HG11 ' CE2' ' A' ' 65' ' ' TYR . 84.0 t -98.94 101.7 12.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.567 ' CE3' HG11 ' A' ' 34' ' ' VAL . 38.0 t90 -88.56 146.62 25.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.528 ' CE2' HG11 ' A' ' 63' ' ' VAL . 20.4 m-85 -135.81 146.73 47.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.459 ' O ' ' C ' ' A' ' 67' ' ' ALA . 28.5 p -97.68 142.23 29.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -32.25 -53.06 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 67' ' ' ALA . 9.0 mmt-85 -36.4 -49.61 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 72' ' ' GLN . 24.8 p -89.85 -49.12 6.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 29.5 m -40.4 -43.21 1.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.183 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -65.16 -36.56 84.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 69' ' ' CYS . 42.0 mt-30 -66.94 -63.23 1.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.525 ' HE1' ' CG ' ' A' ' 65' ' ' TYR . 19.6 mtt -45.38 -32.76 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -66.8 -44.82 80.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -69.39 -40.0 77.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 45.8 mtm 65.51 43.28 3.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.33 42.24 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -86.46 167.0 15.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.52 148.99 44.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 38.5 p-10 -102.87 102.71 12.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -49.32 117.42 2.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -86.2 -57.31 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.4 t -172.19 156.06 3.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 97.66 96.98 1.96 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 97.34 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.72 2.28 . . . . 0.0 112.334 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.1 t -126.15 133.56 51.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.0 t -53.76 96.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.114 -0.826 . . . . 0.0 112.545 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.1 t -109.83 90.31 3.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.383 . . . . 0.0 110.831 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 t -101.54 98.6 8.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.68 147.26 48.13 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.467 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.1 t -125.11 85.65 2.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.895 0.379 . . . . 0.0 110.87 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t -128.56 109.62 11.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.03 91.67 0.53 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -141.98 126.77 18.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.782 0.325 . . . . 0.0 111.108 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -82.29 46.63 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -125.61 92.66 3.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -152.86 -178.64 7.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.45 -38.11 55.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.077 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 20.9 mmt -48.43 -39.08 21.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -83.92 -72.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 7.7 mtt -74.42 -62.07 1.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.11 66.47 1.57 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.475 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.87 23.89 10.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 0.0 110.905 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.456 ' HB1' ' CG ' ' A' ' 25' ' ' MET . . . -116.33 140.53 49.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.098 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.487 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.2 p -62.92 179.0 0.41 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.539 HG12 ' CZ ' ' A' ' 43' ' ' TYR . 0.5 OUTLIER -104.67 -13.6 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.475 ' CB ' ' HB3' ' A' ' 47' ' ' CYS . 82.2 t -72.11 -75.49 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.076 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.0 p -92.44 -10.35 38.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.9 mtp85 61.24 53.03 3.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -122.76 160.56 25.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.456 ' CG ' ' HB1' ' A' ' 18' ' ' ALA . 2.0 mtt -114.36 0.42 14.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.5 m -93.45 117.51 30.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.083 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.3 m -103.85 -173.94 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.438 ' O ' ' NE2' ' A' ' 32' ' ' GLN . . . -157.04 167.15 31.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.69 103.34 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.22 -15.72 56.1 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.461 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.422 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 29.9 t30 -117.06 42.24 2.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 0.0 110.924 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.438 ' NE2' ' O ' ' A' ' 28' ' ' ALA . 1.3 mp0 -61.48 -176.09 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.584 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 6.8 mt -106.86 133.3 51.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.521 HG13 ' CD2' ' A' ' 64' ' ' TRP . 2.7 t -115.85 153.47 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.104 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -123.4 123.29 40.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 22.1 t -66.06 165.05 14.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.465 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 20.5 mm-40 -103.7 -33.11 9.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.426 ' O ' ' CD2' ' A' ' 40' ' ' HIS . 2.8 tm-20 -80.4 -63.83 1.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.7 p -80.84 -25.26 37.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.426 ' CD2' ' O ' ' A' ' 38' ' ' GLU . 51.0 m-70 67.54 30.25 6.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -97.27 145.82 25.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.487 ' CB ' ' HA ' ' A' ' 19' ' ' CYS . 40.4 mt -81.99 130.56 35.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.539 ' CZ ' HG12 ' A' ' 20' ' ' VAL . 27.5 m-85 -134.04 108.08 8.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.584 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.8 m80 -52.33 124.65 13.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.418 ' CD ' HG13 ' A' ' 52' ' ' VAL . 33.4 mt-30 -36.79 -28.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.517 ' N ' ' O ' ' A' ' 44' ' ' HIS . 5.4 t70 -92.27 -64.7 1.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.837 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.475 ' HB3' ' CB ' ' A' ' 21' ' ' VAL . 98.2 m -36.72 -38.85 0.18 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.402 ' HD2' ' CD1' ' A' ' 43' ' ' TYR . 1.8 t-80 -62.06 157.87 17.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.591 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 1.6 mmmp? -61.36 -68.29 0.84 Allowed Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.608 0.718 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.591 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 54.1 Cg_endo -69.68 110.93 2.66 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.68 2.253 . . . . 0.0 112.403 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -48.22 102.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.418 HG13 ' CD ' ' A' ' 45' ' ' GLN . 57.6 t -77.8 147.49 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 77.4 p -102.93 -177.62 3.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -86.89 -23.3 25.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.8 tptt -75.87 -33.91 60.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -64.2 -54.65 30.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.9 m -58.47 -42.08 83.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -59.58 -49.74 76.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -43.96 104.04 0.36 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.585 0.707 . . . . 0.0 110.888 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -37.11 9.79 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.708 2.272 . . . . 0.0 112.35 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -88.2 26.32 1.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.1 tp -109.6 142.67 40.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.57 HG21 ' CE2' ' A' ' 65' ' ' TYR . 10.1 p -106.74 108.65 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.521 ' CD2' HG13 ' A' ' 34' ' ' VAL . 10.8 t90 -93.57 134.61 35.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.57 ' CE2' HG21 ' A' ' 63' ' ' VAL . 10.0 m-85 -135.01 117.0 15.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 67' ' ' ALA . 16.7 p -61.21 143.42 55.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.489 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -32.45 -62.24 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.083 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.489 ' C ' ' O ' ' A' ' 67' ' ' ALA . 18.7 mtt180 -31.15 -63.49 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 64.4 m -63.22 -44.48 95.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 86.9 m -48.87 -46.11 42.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.164 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.426 ' HG3' ' N ' ' A' ' 72' ' ' GLN . 17.4 ptt180 -74.25 -29.47 61.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.426 ' N ' ' HG3' ' A' ' 71' ' ' ARG . 13.0 mm100 -67.69 -63.54 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.491 ' HE3' ' CE2' ' A' ' 65' ' ' TYR . 20.0 mtm -51.59 -38.5 54.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -76.22 112.47 12.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -106.32 -49.08 3.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.419 ' O ' ' C ' ' A' ' 77' ' ' ALA . 3.2 mtt -44.39 -24.3 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 79' ' ' LYS . . . 36.33 45.81 0.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -61.68 75.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 77' ' ' ALA . 0.5 OUTLIER -118.04 178.11 4.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -110.54 98.52 7.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -123.28 140.37 53.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 83' ' ' SER . 48.8 tptt -153.3 150.89 29.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.447 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 47.5 p 44.98 44.18 7.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -117.68 72.8 0.29 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.525 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 169.58 18.61 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.68 2.253 . . . . 0.0 112.31 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.8 t -106.97 91.12 3.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.9 m -128.63 127.43 42.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.482 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.2 p -81.38 127.96 33.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.811 0.339 . . . . 0.0 110.876 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.0 m -63.38 159.78 17.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.05 109.14 2.75 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 t -120.25 103.67 9.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.851 0.357 . . . . 0.0 110.847 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.8 p -90.29 42.12 1.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.825 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.18 161.05 35.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.488 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -110.34 162.42 14.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.748 0.308 . . . . 0.0 111.137 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -81.94 128.97 34.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -84.51 132.25 34.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.431 ' O ' ' C ' ' A' ' 12' ' ' ALA . 69.6 t80 -156.91 160.01 38.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 13' ' ' MET . . . -35.15 -63.54 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -35.36 -48.0 0.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 15' ' ' MET . 8.1 tp10 -60.29 -59.44 5.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.842 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.443 ' C ' ' O ' ' A' ' 14' ' ' GLU . 23.8 mmt -33.73 -48.34 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.06 42.86 91.89 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.462 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.425 ' C ' HD11 ' A' ' 42' ' ' LEU . 4.6 pp -114.46 18.31 16.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.804 0.335 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.421 ' HB1' ' C ' ' A' ' 24' ' ' GLN . . . -83.87 142.85 30.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.447 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.1 p -60.55 -175.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.552 HG12 ' CZ ' ' A' ' 43' ' ' TYR . 1.2 p -106.04 -20.69 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.475 ' CB ' ' HB3' ' A' ' 47' ' ' CYS . 98.9 t -65.94 -75.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.7 p -90.33 -12.03 38.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.8 mtt180 62.79 52.18 2.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.421 ' C ' ' HB1' ' A' ' 18' ' ' ALA . 13.7 mm100 -133.38 169.81 16.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.42 ' CE ' ' HB2' ' A' ' 18' ' ' ALA . 2.5 mpt? -111.79 -11.29 13.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.3 m -52.25 126.45 18.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.181 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.8 m -138.62 -179.21 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -148.18 157.39 43.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.3 t -43.59 -38.66 3.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -95.31 -48.41 2.4 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.474 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -89.9 95.02 10.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.804 0.335 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.484 ' HB2' ' NE2' ' A' ' 45' ' ' GLN . 30.5 mm-40 -105.04 -176.14 2.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.589 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 7.5 mt -97.16 158.54 15.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.567 HG12 ' CE3' ' A' ' 64' ' ' TRP . 19.1 t -133.41 152.18 34.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -124.63 121.39 34.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 23.4 t -65.62 164.32 14.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.526 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 16.1 mm-40 -103.85 -32.97 9.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -83.07 -60.68 2.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.3 p -82.45 -23.36 34.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 63.96 32.01 13.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -96.86 148.05 23.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.447 ' CB ' ' HA ' ' A' ' 19' ' ' CYS . 94.3 mt -86.21 128.8 34.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.552 ' CZ ' HG12 ' A' ' 20' ' ' VAL . 38.6 m-85 -133.34 121.32 22.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.589 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 1.8 m80 -65.37 124.21 21.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.818 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.484 ' NE2' ' HB2' ' A' ' 32' ' ' GLN . 60.8 mt-30 -34.15 -32.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.52 ' N ' ' O ' ' A' ' 44' ' ' HIS . 2.8 p-10 -89.88 -63.74 1.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.475 ' HB3' ' CB ' ' A' ' 21' ' ' VAL . 96.4 m -36.41 -39.0 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.8 t-80 -63.2 159.09 18.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.601 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 0.7 OUTLIER -62.4 -68.53 0.78 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.599 0.714 . . . . 0.0 110.895 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.601 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.9 Cg_endo -69.74 112.45 3.08 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.664 2.242 . . . . 0.0 112.361 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -48.88 101.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.2 t -83.7 139.14 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.9 p -101.82 174.79 5.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.44 ' C ' ' OD1' ' A' ' 58' ' ' ASN . 1.6 p-10 -75.93 -54.6 6.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -37.58 -31.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 54' ' ' ASP . 8.6 mt-10 -73.53 -72.51 0.26 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.859 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.407 HG23 ' N ' ' A' ' 58' ' ' ASN . 32.9 m -47.73 -22.91 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.44 ' OD1' ' C ' ' A' ' 54' ' ' ASP . 20.8 m120 -66.04 -36.5 83.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.411 ' HB3' ' CB ' ' A' ' 62' ' ' LEU . 39.4 t0 -63.65 115.02 15.33 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.618 0.723 . . . . 0.0 110.844 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.64 -33.26 17.42 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.725 2.283 . . . . 0.0 112.384 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -99.31 34.77 2.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.411 ' CB ' ' HB3' ' A' ' 59' ' ' ASP . 0.9 OUTLIER -104.18 146.85 28.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.561 HG13 ' CE2' ' A' ' 65' ' ' TYR . 71.4 t -108.51 111.14 34.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.567 ' CE3' HG12 ' A' ' 34' ' ' VAL . 25.0 t90 -105.69 136.06 45.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.561 ' CE2' HG13 ' A' ' 63' ' ' VAL . 28.1 m-85 -133.66 126.44 30.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 67' ' ' ALA . 17.0 p -76.76 149.03 36.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.48 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -37.16 -60.13 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.097 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.48 ' C ' ' O ' ' A' ' 67' ' ' ALA . 7.3 mmm180 -31.58 -41.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.425 ' N ' ' O ' ' A' ' 67' ' ' ALA . 74.7 m -91.17 -43.03 10.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.6 m -48.99 -45.54 42.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.179 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -60.64 -29.99 69.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -71.76 -55.32 7.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 30.2 mtt -60.7 -36.34 78.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt -37.78 157.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.4 ptt-85 -65.37 -34.88 79.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.4 mmt -42.58 -26.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 78' ' ' GLN . . . -116.14 49.73 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 77' ' ' ALA . 10.2 pt20 -34.04 129.25 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.7 ptmm? -174.08 128.93 0.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 57.72 43.35 22.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -99.19 135.15 41.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 83' ' ' SER . 14.7 tttm -100.8 -54.58 2.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 82' ' ' LYS . 4.3 m -34.29 -60.36 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.854 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 145.57 87.0 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 97.54 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.662 2.241 . . . . 0.0 112.331 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.4 t -79.74 113.44 17.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.5 p -45.24 -45.24 11.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.475 179.968 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.6 m 55.51 44.88 26.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.867 0.365 . . . . 0.0 110.836 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.5 p -125.82 123.07 37.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.42 150.88 6.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.46 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 m -81.24 109.01 15.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.873 0.368 . . . . 0.0 110.893 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -73.41 -48.03 37.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.51 -146.84 18.78 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.471 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -144.78 174.8 10.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 111.078 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -160.0 146.26 15.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -60.06 141.36 55.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.423 ' O ' ' C ' ' A' ' 12' ' ' ALA . 20.1 t80 -157.34 170.39 22.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 13' ' ' MET . . . -35.87 -47.78 0.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.096 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 12' ' ' ALA . 38.6 mmm -34.38 -48.83 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -47.35 -62.87 1.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 67.5 mtm -61.1 -49.8 75.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.59 37.99 92.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.518 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.539 ' C ' ' CD1' ' A' ' 42' ' ' LEU . 4.4 pp -109.99 20.52 17.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.804 0.335 . . . . 0.0 110.951 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -93.82 148.0 22.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.076 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.479 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.4 p -62.02 -179.52 0.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.516 HG11 ' CZ ' ' A' ' 43' ' ' TYR . 0.3 OUTLIER -103.89 -16.46 7.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.878 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.468 ' CB ' ' HB3' ' A' ' 47' ' ' CYS . 67.5 t -70.08 -76.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.8 p -90.16 -14.95 32.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.8 mtm180 65.14 52.77 1.44 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.826 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -133.74 -176.98 4.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 14.3 mtm -122.6 -19.93 6.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.8 m -41.89 125.22 2.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.143 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.1 m -140.79 172.69 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.88 176.22 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 83.6 p -44.75 104.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.58 -37.22 3.44 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -88.63 44.03 1.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.802 0.334 . . . . 0.0 110.873 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -81.97 -176.29 6.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.573 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 13.1 mt -103.81 157.26 17.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.528 HG12 ' CD2' ' A' ' 64' ' ' TRP . 20.3 t -137.83 154.81 29.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -124.34 128.08 48.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 33.7 t -73.6 160.84 31.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -101.55 -24.34 14.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.413 ' O ' ' CD2' ' A' ' 40' ' ' HIS . 2.9 tt0 -88.47 -63.88 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.9 p -81.35 -26.82 35.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.413 ' CD2' ' O ' ' A' ' 38' ' ' GLU . 50.5 m-70 68.12 36.02 3.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -103.67 145.62 29.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.539 ' CD1' ' C ' ' A' ' 17' ' ' LEU . 44.3 mt -80.05 127.71 32.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.516 ' CZ ' HG11 ' A' ' 20' ' ' VAL . 27.6 m-85 -132.63 114.83 14.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.573 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.9 m80 -60.67 124.76 21.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.853 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.459 ' NE2' HG11 ' A' ' 57' ' ' VAL . 43.9 mt-30 -36.32 -29.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 44' ' ' HIS . 11.8 t0 -90.76 -65.04 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.468 ' HB3' ' CB ' ' A' ' 21' ' ' VAL . 95.6 m -36.65 -38.54 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -63.51 155.41 29.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.599 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 8.7 mmtp -60.88 -68.35 0.82 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.595 0.712 . . . . 0.0 110.919 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.599 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 54.1 Cg_endo -69.74 109.87 2.41 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.684 2.256 . . . . 0.0 112.362 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -47.41 100.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 98.6 t -72.12 146.35 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 62.7 p -111.54 177.27 4.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.184 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -76.61 -45.35 30.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.923 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -43.03 -29.13 0.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -76.46 -70.23 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.459 HG11 ' NE2' ' A' ' 45' ' ' GLN . 31.7 m -48.21 -34.73 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -63.61 -37.41 87.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.434 ' HB3' ' CB ' ' A' ' 62' ' ' LEU . 2.9 m-20 -64.73 111.34 5.53 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.64 0.733 . . . . 0.0 110.866 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -42.92 2.97 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.671 2.247 . . . . 0.0 112.333 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -91.35 33.02 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.465 ' HG ' ' N ' ' A' ' 63' ' ' VAL . 0.1 OUTLIER -107.13 149.91 27.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.465 ' N ' ' HG ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -112.9 123.82 68.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.829 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.528 ' CD2' HG12 ' A' ' 34' ' ' VAL . 14.2 t90 -107.49 131.21 54.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.43 ' CD2' ' HE3' ' A' ' 73' ' ' MET . 15.7 m-85 -126.93 118.91 25.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 67' ' ' ALA . 20.3 p -72.51 143.05 48.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.472 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -33.61 -57.05 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 67' ' ' ALA . 17.3 mmt180 -32.54 -46.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 67.1 m -83.18 -49.45 9.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.4 m -43.95 -49.4 8.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.129 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.412 ' C ' ' HD3' ' A' ' 71' ' ' ARG . 0.2 OUTLIER -62.8 -33.92 76.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -73.1 -63.48 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.43 ' HE3' ' CD2' ' A' ' 65' ' ' TYR . 5.1 mtm -47.66 -37.99 13.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -71.26 100.43 2.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 75' ' ' ARG . 2.6 ptm85 -118.87 -38.0 3.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -87.76 30.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.13 -9.0 58.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -130.09 142.52 50.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.83 131.24 7.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -122.11 176.55 5.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -97.38 43.37 1.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 83' ' ' SER . 35.0 mtmt -130.0 147.54 51.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 82' ' ' LYS . 49.0 m -34.69 -58.64 0.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.836 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 153.8 63.92 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 103.34 1.15 Allowed 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.737 2.291 . . . . 0.0 112.339 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.8 p -136.85 147.09 46.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 97.7 p -156.64 117.32 3.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.087 -0.841 . . . . 0.0 112.503 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t -126.23 100.38 6.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.367 . . . . 0.0 110.874 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.9 p -115.33 172.62 6.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.89 -157.24 11.55 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.9 t -54.85 141.01 34.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.943 0.401 . . . . 0.0 110.826 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t -169.24 145.95 3.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.8 -141.69 8.21 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.501 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -128.87 -56.39 1.19 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.754 0.312 . . . . 0.0 111.076 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.402 ' OD1' ' CD2' ' A' ' 11' ' ' PHE . 2.6 p30 -119.2 34.34 5.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.913 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 39.15 54.87 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.832 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.402 ' CD2' ' OD1' ' A' ' 9' ' ' ASP . 0.3 OUTLIER -44.79 -71.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -108.13 -23.69 11.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.138 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.87 -33.1 16.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -59.15 -60.62 3.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.941 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.421 ' HB2' ' CD2' ' A' ' 17' ' ' LEU . 5.0 mmt -120.73 -44.61 2.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 12' ' ' ALA . . . 75.99 62.99 2.5 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.495 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.466 ' O ' ' CD1' ' A' ' 33' ' ' LEU . 0.4 OUTLIER -118.4 23.79 11.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.797 0.332 . . . . 0.0 110.886 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -106.53 145.45 31.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.469 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.1 p -66.35 -177.77 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.527 HG11 ' CZ ' ' A' ' 43' ' ' TYR . 0.9 OUTLIER -105.32 -20.66 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.48 ' CB ' ' HB3' ' A' ' 47' ' ' CYS . 95.2 t -65.74 -75.77 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.0 p -90.36 -12.24 38.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 49.9 mtp85 62.12 52.47 3.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -130.69 172.05 12.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.78 -6.73 12.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.2 m -56.21 123.02 13.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.16 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.0 m -135.72 -176.53 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 29' ' ' SER . . . -159.8 149.18 17.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 28' ' ' ALA . 33.2 m -38.33 -40.16 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.2 -44.82 4.6 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.488 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -102.96 97.28 7.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.876 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -108.84 -174.4 2.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.575 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 7.5 mt -96.27 164.05 12.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.555 HG11 ' CE3' ' A' ' 64' ' ' TRP . 15.7 t -138.77 155.79 27.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.152 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -128.72 128.69 44.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.0 t -76.54 162.98 27.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.421 ' O ' ' CE1' ' A' ' 40' ' ' HIS . 8.2 mm-40 -104.25 -32.18 9.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -78.55 -58.17 3.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.449 ' C ' ' CD2' ' A' ' 40' ' ' HIS . 2.2 m -85.88 -33.37 21.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.449 ' CD2' ' C ' ' A' ' 39' ' ' CYS . 16.4 m-70 74.01 39.37 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -108.56 148.61 30.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.469 ' CB ' ' HA ' ' A' ' 19' ' ' CYS . 70.5 mt -84.28 127.77 34.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.527 ' CZ ' HG11 ' A' ' 20' ' ' VAL . 29.1 m-85 -133.62 118.11 17.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.958 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.575 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.2 m80 -61.72 127.04 29.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 44' ' ' HIS . 25.3 mt-30 -36.71 -29.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 44' ' ' HIS . 5.9 t70 -93.12 -63.92 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.48 ' HB3' ' CB ' ' A' ' 21' ' ' VAL . 87.1 m -36.66 -39.35 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.501 ' CE1' ' HA ' ' A' ' 66' ' ' CYS . 1.8 t-80 -62.57 160.95 12.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.58 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 3.7 mmmt -64.28 -67.51 1.04 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.599 0.714 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.58 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.7 Cg_endo -69.73 110.92 2.67 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.7 2.267 . . . . 0.0 112.354 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -48.62 101.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.7 t -83.64 137.44 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.7 p -101.98 179.57 4.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -72.86 -49.22 31.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.69 -33.88 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -72.36 -72.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.441 HG23 ' N ' ' A' ' 58' ' ' ASN . 16.0 m -46.28 -26.24 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.441 ' N ' HG23 ' A' ' 57' ' ' VAL . 54.0 m-20 -64.82 -50.2 67.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -60.29 110.56 2.97 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.636 0.731 . . . . 0.0 110.9 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -37.51 9.07 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.668 2.245 . . . . 0.0 112.346 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 42.7 mtt180 -88.98 29.27 1.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 tp -105.05 130.49 53.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 94.1 t -91.58 107.44 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.555 ' CE3' HG11 ' A' ' 34' ' ' VAL . 24.9 t90 -94.22 150.65 20.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.525 ' CZ ' ' HE3' ' A' ' 73' ' ' MET . 15.3 m-85 -140.07 144.51 36.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.501 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 26.6 p -96.65 140.99 30.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -30.1 -55.13 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.429 ' NH1' ' HB3' ' A' ' 68' ' ' ARG . 2.5 mmm180 -34.82 -53.09 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 72' ' ' GLN . 22.7 p -85.56 -50.1 7.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.458 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 80.8 m -37.98 -54.91 1.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -52.4 -38.36 58.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 69' ' ' CYS . 47.2 mt-30 -68.31 -36.58 79.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.525 ' HE3' ' CZ ' ' A' ' 65' ' ' TYR . 8.2 mtt -80.16 -26.75 39.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 70' ' ' THR . 3.3 mmmm -38.7 146.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -65.94 -29.88 70.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 12.8 mtt -85.23 28.52 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -103.84 40.99 1.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.103 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -57.51 -32.72 67.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.9 pttp -83.57 44.07 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -109.65 79.47 1.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -42.54 156.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 56.1 tttt -82.86 140.78 32.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.6 p -131.71 -51.62 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.824 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.04 78.16 0.22 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 125.72 12.46 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.697 2.265 . . . . 0.0 112.316 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 33.2 p -49.83 -53.02 28.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.1 t -73.25 137.26 44.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.522 179.978 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.4 m -129.42 127.27 40.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.889 0.376 . . . . 0.0 110.867 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.8 p -117.24 150.3 38.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.67 -79.97 0.12 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 6' ' ' SER . 75.5 m -83.97 83.78 7.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.843 0.354 . . . . 0.0 110.864 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 5' ' ' SER . 3.4 m -36.23 115.05 0.32 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.71 -159.39 9.62 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.465 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -129.88 174.72 9.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.33 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -91.86 125.9 36.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.823 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.39 80.47 1.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.494 ' O ' ' N ' ' A' ' 13' ' ' MET . 0.7 OUTLIER -60.83 -35.96 77.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 13' ' ' MET . . . -37.49 -27.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.093 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.494 ' N ' ' O ' ' A' ' 11' ' ' PHE . 13.7 mmt -34.41 -58.47 0.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -45.47 -58.59 3.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 41.9 mtt -49.05 -46.55 44.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.06 65.01 1.73 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.423 ' O ' ' CD1' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -123.04 23.11 9.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.925 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -112.87 144.71 41.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.071 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.46 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -63.79 -177.38 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 -179.895 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.528 HG11 ' CZ ' ' A' ' 43' ' ' TYR . 0.8 OUTLIER -105.51 -18.94 6.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 179.92 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.466 ' CB ' ' HB3' ' A' ' 47' ' ' CYS . 94.1 t -66.53 -75.65 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.1 p -90.77 -12.37 36.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 61.71 51.9 3.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -130.34 176.19 8.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -117.95 -14.13 10.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.5 m -48.6 123.43 6.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.138 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.2 m -138.85 -175.67 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.164 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 29' ' ' SER . . . -157.82 157.88 34.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 28' ' ' ALA . 38.5 m -35.12 -46.27 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -92.71 -57.6 1.41 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.495 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 -75.01 90.35 2.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.77 0.319 . . . . 0.0 110.862 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.457 ' HB2' ' NE2' ' A' ' 45' ' ' GLN . 18.7 mm-40 -106.5 -174.78 2.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.583 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 9.3 mt -100.65 153.61 19.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.571 HG11 ' CE3' ' A' ' 64' ' ' TRP . 46.1 t -130.25 158.29 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -130.06 131.06 45.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 37' ' ' GLN . 41.1 t -77.54 163.24 26.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.538 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 79.3 mm-40 -99.96 -35.87 9.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.7 -68.07 0.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.7 m -74.27 -25.97 59.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.522 ' CD2' ' O ' ' A' ' 37' ' ' GLN . 24.1 m-70 63.55 41.62 7.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -109.82 150.59 28.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.46 ' CB ' ' HA ' ' A' ' 19' ' ' CYS . 66.0 mt -84.85 126.86 33.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.528 ' CZ ' HG11 ' A' ' 20' ' ' VAL . 24.6 m-85 -131.7 114.32 14.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.94 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.583 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.3 m80 -57.86 125.57 23.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.457 ' NE2' ' HB2' ' A' ' 32' ' ' GLN . 65.6 mt-30 -37.51 -27.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -93.61 -64.5 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.466 ' HB3' ' CB ' ' A' ' 21' ' ' VAL . 85.3 m -36.79 -38.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.404 ' CE1' ' HA ' ' A' ' 66' ' ' CYS . 1.8 t-80 -62.76 157.93 19.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.602 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 24.6 mtmt -62.69 -68.4 0.82 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.608 0.718 . . . . 0.0 110.949 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.602 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.8 Cg_endo -69.78 109.42 2.31 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.669 2.246 . . . . 0.0 112.337 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -46.82 102.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.3 t -76.52 138.37 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 64.7 p -97.24 176.41 5.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 56' ' ' GLU . 2.0 m-20 -75.03 -58.78 3.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 54' ' ' ASP . 8.0 pttm -33.94 -34.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 54' ' ' ASP . 8.5 mm-40 -62.37 -67.5 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.453 HG12 ' NE2' ' A' ' 45' ' ' GLN . 34.6 m -55.05 -33.32 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.435 ' N ' HG23 ' A' ' 57' ' ' VAL . 7.4 m-80 -56.95 -46.09 82.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.468 ' HB3' ' CB ' ' A' ' 62' ' ' LEU . 25.2 t0 -61.2 113.6 8.4 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.592 0.71 . . . . 0.0 110.857 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -39.6 6.47 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.37 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -94.46 35.09 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.471 ' HG ' ' N ' ' A' ' 63' ' ' VAL . 0.1 OUTLIER -100.99 150.27 23.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.471 ' N ' ' HG ' ' A' ' 62' ' ' LEU . 7.1 p -113.28 109.88 30.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.571 ' CE3' HG11 ' A' ' 34' ' ' VAL . 39.7 t90 -101.13 152.61 20.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.557 ' CE1' ' HE3' ' A' ' 73' ' ' MET . 41.9 m-85 -142.23 153.8 44.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.453 ' O ' ' C ' ' A' ' 67' ' ' ALA . 27.3 p -106.46 143.51 34.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.919 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -32.75 -54.53 0.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 67' ' ' ALA . 1.9 mmm180 -33.81 -48.34 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.839 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 72' ' ' GLN . 25.8 p -92.85 -48.68 6.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.4 m -41.7 -35.13 0.71 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.135 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.409 ' C ' ' HD3' ' A' ' 71' ' ' ARG . 0.6 OUTLIER -78.28 -34.27 48.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 69' ' ' CYS . 13.0 mm-40 -69.66 -59.28 3.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.557 ' HE3' ' CE1' ' A' ' 65' ' ' TYR . 8.9 mtm -48.0 -38.12 16.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.3 mttt -45.46 116.9 1.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.413 ' C ' ' HE1' ' A' ' 76' ' ' MET . 12.0 ptt180 -74.08 -40.07 63.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.451 ' HA ' ' CE ' ' A' ' 76' ' ' MET . 27.5 mmt -86.38 28.88 0.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -112.0 41.66 1.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.137 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -120.54 135.82 54.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -130.96 22.07 4.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -142.48 171.9 13.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.8 pm0 -94.98 146.52 24.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -150.41 155.17 39.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 72.7 p -78.82 -56.29 4.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.06 -98.75 1.07 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 173.35 11.12 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.315 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.1 p -75.98 -43.8 42.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.6 m -54.34 -54.43 40.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.114 -0.826 . . . . 0.0 112.468 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 p -95.85 146.38 24.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.895 0.378 . . . . 0.0 110.894 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.2 t -63.11 -51.38 66.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 63.79 151.46 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 4' ' ' GLY . 5.7 t -34.9 -55.53 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 0.0 110.862 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.1 t -85.51 162.54 18.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.806 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.9 49.47 0.49 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.448 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -101.08 164.61 11.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.833 0.349 . . . . 0.0 111.085 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -101.48 132.62 47.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -118.23 124.33 47.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.497 ' O ' ' N ' ' A' ' 13' ' ' MET . 0.7 OUTLIER -89.15 -34.71 16.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 13' ' ' MET . . . -36.42 -29.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.048 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.497 ' N ' ' O ' ' A' ' 11' ' ' PHE . 77.3 mmm -34.47 -53.6 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 15' ' ' MET . 39.8 tp10 -60.3 -63.1 1.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.434 ' C ' ' O ' ' A' ' 14' ' ' GLU . 9.1 mtp -34.49 -57.18 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.8 67.5 1.54 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.452 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.447 ' O ' ' CD1' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -122.2 22.91 10.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.84 0.352 . . . . 0.0 110.954 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -108.88 140.81 41.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.463 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -62.65 -177.33 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.531 HG11 ' CZ ' ' A' ' 43' ' ' TYR . 0.8 OUTLIER -106.26 -17.64 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.085 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.468 ' CB ' ' HB3' ' A' ' 47' ' ' CYS . 65.5 t -68.93 -75.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.4 p -90.51 -12.57 36.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.8 mtt85 63.29 51.01 2.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -132.04 173.31 11.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -115.41 -10.79 11.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 93.6 m -48.47 126.36 11.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.0 m -143.11 -176.97 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.175 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 29' ' ' SER . . . -161.36 164.58 29.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 28' ' ' ALA . 1.9 t -37.6 -40.5 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -104.28 -44.36 1.61 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.494 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -81.0 78.67 7.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.744 0.307 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -100.47 -174.89 2.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.55 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 10.0 mt -104.33 163.65 12.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.527 HG11 ' CD2' ' A' ' 64' ' ' TRP . 3.5 t -138.27 151.84 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -123.96 122.65 38.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.846 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 23.8 t -66.92 164.7 16.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.445 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 20.3 mm-40 -103.91 -30.36 10.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.26 -62.74 1.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.3 p -82.21 -24.27 34.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 65.39 34.09 8.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -97.88 148.02 23.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.463 ' CB ' ' HA ' ' A' ' 19' ' ' CYS . 92.8 mt -84.86 126.33 33.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.531 ' CZ ' HG11 ' A' ' 20' ' ' VAL . 37.1 m-85 -131.92 118.8 20.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.55 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.2 m80 -62.81 127.62 32.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -38.98 -25.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 44' ' ' HIS . 29.9 t70 -96.57 -64.09 1.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.468 ' HB3' ' CB ' ' A' ' 21' ' ' VAL . 88.0 m -36.0 -39.63 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.9 t-80 -61.91 156.11 21.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.602 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 3.8 mmtm -61.25 -68.29 0.84 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.53 0.681 . . . . 0.0 110.925 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.602 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 54.2 Cg_endo -69.77 109.27 2.27 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.713 2.275 . . . . 0.0 112.355 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -46.78 101.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.2 t -71.47 141.42 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 75.2 p -100.78 169.6 8.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.41 ' O ' ' ND2' ' A' ' 58' ' ' ASN . 0.7 OUTLIER -72.69 -44.17 62.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -44.93 -28.47 0.67 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -77.37 -70.91 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 33.0 m -43.87 -27.31 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 54' ' ' ASP . 81.7 m-20 -73.28 -51.67 16.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -51.64 107.68 0.89 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.608 0.718 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -24.06 30.03 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 2.256 . . . . 0.0 112.327 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.401 ' HD2' ' O ' ' A' ' 61' ' ' ARG . 1.2 ppt_? -107.05 28.29 8.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.3 tp -97.11 144.3 27.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.477 HG11 ' CE2' ' A' ' 65' ' ' TYR . 87.1 t -104.09 107.67 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.527 ' CD2' HG11 ' A' ' 34' ' ' VAL . 18.5 t90 -100.92 132.93 46.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.477 ' CE2' HG11 ' A' ' 63' ' ' VAL . 16.3 m-85 -130.58 116.85 18.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.4 p -67.8 144.9 55.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.462 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -38.78 -57.65 1.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.462 ' C ' ' O ' ' A' ' 67' ' ' ALA . 14.2 mmt180 -32.85 -41.06 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 86.7 m -86.75 -49.61 7.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.7 m -45.54 -42.32 10.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.126 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' A' ' 72' ' ' GLN . 11.9 ptm180 -64.71 -36.15 83.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.428 ' N ' ' HG3' ' A' ' 71' ' ' ARG . 14.9 mm100 -68.39 -62.46 1.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 17.6 mtm -51.98 -38.0 55.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -63.15 145.23 55.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.934 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' A' ' 76' ' ' MET . 2.9 ptm85 -57.54 -47.96 80.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.447 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 27.1 mtp 46.52 42.13 10.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -113.53 40.97 2.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.06 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -83.57 121.31 27.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.938 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -41.13 111.27 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -74.46 -54.33 7.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -80.86 43.23 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -145.25 117.9 8.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.1 m -114.52 93.49 4.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -117.72 71.78 0.29 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 102.86 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 2.259 . . . . 0.0 112.364 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 31.4 m -95.16 169.66 9.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 59.1 p -152.35 149.58 28.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 CA-C-O 119.132 -0.815 . . . . 0.0 112.525 179.977 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m -65.25 122.12 16.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.371 . . . . 0.0 110.857 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -107.6 108.84 20.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.08 170.92 2.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.503 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -93.33 -55.06 3.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.898 0.38 . . . . 0.0 110.868 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 t -72.16 -62.39 1.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.883 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.43 128.86 9.53 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -147.14 107.72 4.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 111.101 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.6 130.35 17.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -88.4 112.62 23.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.822 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.522 ' O ' ' N ' ' A' ' 13' ' ' MET . 0.1 OUTLIER -53.36 129.72 32.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.902 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 11' ' ' PHE . . . 35.73 29.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.522 ' N ' ' O ' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -130.41 -30.29 1.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -77.35 -38.28 50.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 29.0 mtp -72.88 -35.35 67.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.55 46.13 37.56 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.48 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 pp -115.25 21.29 14.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.341 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.439 ' HB1' ' C ' ' A' ' 24' ' ' GLN . . . -96.23 147.08 24.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.464 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -61.87 -178.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.542 HG11 ' CZ ' ' A' ' 43' ' ' TYR . 0.8 OUTLIER -104.1 -18.34 6.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.145 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.472 ' CB ' ' HB3' ' A' ' 47' ' ' CYS . 89.4 t -67.72 -76.05 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.8 p -90.98 -12.04 37.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 61.77 52.16 3.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.439 ' C ' ' HB1' ' A' ' 18' ' ' ALA . 70.9 mt-30 -129.16 172.28 11.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 37.0 mtp -116.35 -12.81 11.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 95.7 m -53.0 129.19 29.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.8 m -143.7 -179.31 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 29' ' ' SER . . . -154.45 150.9 28.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 28' ' ' ALA . 3.0 m -34.14 -36.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 28' ' ' ALA . . . -97.66 -49.15 1.85 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -88.99 87.69 7.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.802 0.334 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -103.95 -178.85 3.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.584 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 7.2 mt -97.16 164.3 12.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.564 HG12 ' CE3' ' A' ' 64' ' ' TRP . 10.6 t -138.92 153.46 25.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.066 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -122.73 128.07 50.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.451 ' SG ' ' N ' ' A' ' 37' ' ' GLN . 36.5 t -76.1 163.34 27.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.506 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 12.3 mm-40 -100.62 -36.82 9.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.963 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.424 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 0.2 OUTLIER -76.97 -69.38 0.53 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.839 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.5 m -74.43 -23.75 58.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.462 ' CD2' ' O ' ' A' ' 37' ' ' GLN . 31.3 m-70 63.82 33.47 12.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.811 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -100.87 154.01 19.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.464 ' CB ' ' HA ' ' A' ' 19' ' ' CYS . 55.8 mt -88.54 130.9 35.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.542 ' CZ ' HG11 ' A' ' 20' ' ' VAL . 29.3 m-85 -134.95 117.16 15.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.584 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.4 m80 -60.52 127.3 31.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.467 ' HG2' ' CG1' ' A' ' 52' ' ' VAL . 22.1 mt-30 -37.39 -28.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 44' ' ' HIS . 12.7 t0 -94.25 -64.88 1.03 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.472 ' HB3' ' CB ' ' A' ' 21' ' ' VAL . 91.2 m -34.9 -38.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.423 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.7 t-80 -61.97 158.35 16.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.807 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.595 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 34.1 mttt -63.73 -68.13 0.89 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.594 0.712 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.595 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.8 Cg_endo -69.87 110.43 2.57 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.626 2.218 . . . . 0.0 112.351 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -45.74 103.78 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.467 ' CG1' ' HG2' ' A' ' 45' ' ' GLN . 89.8 t -73.35 144.6 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.4 ' O ' ' OE1' ' A' ' 45' ' ' GLN . 63.7 p -94.98 176.99 6.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.91 -34.81 38.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -65.59 -43.2 90.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -55.58 -59.98 4.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.437 HG21 ' NE2' ' A' ' 45' ' ' GLN . 26.8 m -53.82 -36.33 29.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -67.48 -48.33 67.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -40.03 101.66 0.24 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.723 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -36.04 11.5 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.714 2.276 . . . . 0.0 112.329 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.9 ptp180 -100.13 34.93 2.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.0 tp -110.91 140.42 45.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.473 HG12 ' CE2' ' A' ' 65' ' ' TYR . 97.3 t -97.29 93.92 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.564 ' CE3' HG12 ' A' ' 34' ' ' VAL . 60.8 t90 -86.43 136.7 33.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.563 ' CE1' ' HE3' ' A' ' 73' ' ' MET . 19.5 m-85 -126.18 148.48 49.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.463 ' O ' ' C ' ' A' ' 67' ' ' ALA . 27.4 p -99.22 140.49 33.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.463 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -30.9 -52.97 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 67' ' ' ALA . 14.5 mmt-85 -35.65 -50.5 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.437 ' SG ' ' O ' ' A' ' 66' ' ' CYS . 21.6 p -88.17 -48.64 7.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.3 m -41.31 -49.88 3.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.196 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 72' ' ' GLN . 9.2 ptp180 -58.27 -35.85 72.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.419 ' N ' ' HG3' ' A' ' 71' ' ' ARG . 61.5 mt-30 -69.39 -61.96 1.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.563 ' HE3' ' CE1' ' A' ' 65' ' ' TYR . 11.9 mtt -52.39 -41.42 63.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 73' ' ' MET . 18.5 mmtt -34.73 142.18 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.2 ptt-85 -89.85 -30.0 18.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 27.9 ttt -65.49 -12.48 53.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -109.1 35.98 3.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.107 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -79.23 135.01 36.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.32 22.98 5.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -105.59 162.05 13.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -86.11 -26.24 25.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -151.74 124.29 8.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.8 p -70.28 127.12 31.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -78.46 -101.77 0.21 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.449 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 101.97 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.354 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.8 m -160.61 120.36 2.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.9 m -92.43 42.38 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.825 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.182 -0.788 . . . . 0.0 112.488 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -147.23 147.2 30.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.905 0.383 . . . . 0.0 110.835 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 t -59.89 -60.97 2.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.04 -160.78 17.62 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.529 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.2 p -165.71 163.11 19.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.919 0.39 . . . . 0.0 110.824 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -45.27 122.14 3.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.11 107.6 3.4 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.46 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.26 160.39 32.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 0.0 111.058 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.16 88.17 6.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -154.99 145.32 22.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -152.81 145.49 24.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.464 ' O ' ' C ' ' A' ' 13' ' ' MET . . . -50.83 -45.37 59.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.072 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.464 ' C ' ' O ' ' A' ' 12' ' ' ALA . 4.5 mmt -32.68 -45.52 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -39.5 -62.42 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.7 mmt -84.95 -42.11 15.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.43 35.99 45.75 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 pp -113.52 23.59 13.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.835 0.35 . . . . 0.0 110.893 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -101.43 143.43 31.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.089 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.48 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.9 p -62.9 178.46 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.559 HG13 ' CE1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -104.56 -10.53 9.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.416 ' CB ' ' HB3' ' A' ' 47' ' ' CYS . 99.3 t -75.87 -75.66 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.6 p -90.84 -11.93 37.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 62.75 54.3 2.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -132.02 173.07 11.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 63.3 mtm -118.31 -2.98 11.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.6 m -56.78 124.25 17.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.204 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.0 m -144.28 166.27 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -174.62 170.78 3.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.2 p -45.74 123.51 4.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.57 -32.83 3.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.462 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -110.14 67.12 0.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.734 0.302 . . . . 0.0 110.929 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.417 ' HB2' ' NE2' ' A' ' 45' ' ' GLN . 23.6 mm-40 -96.57 -175.72 3.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.592 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 4.4 mt -102.79 156.45 17.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.581 HG13 ' CE3' ' A' ' 64' ' ' TRP . 14.5 t -134.01 155.65 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -123.38 134.58 53.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.6 t -82.86 158.07 22.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.583 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 75.5 mm-40 -93.78 -29.45 15.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.94 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.29 -64.35 1.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.9 m -71.38 -25.71 62.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 54.6 m-70 63.68 26.52 14.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -98.89 -174.39 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.48 ' CB ' ' HA ' ' A' ' 19' ' ' CYS . 45.4 mt -116.85 132.29 56.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.559 ' CE1' HG13 ' A' ' 20' ' ' VAL . 31.8 m-85 -132.59 114.9 14.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.592 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.7 m80 -58.88 124.17 18.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.463 ' NE2' HG21 ' A' ' 57' ' ' VAL . 39.4 mt-30 -32.78 -35.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 44' ' ' HIS . 23.1 t0 -86.55 -63.81 1.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.433 ' C ' ' O ' ' A' ' 46' ' ' ASP . 81.4 m -35.92 -36.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.428 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.8 t-80 -65.06 159.23 23.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.58 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 50.4 mttt -65.03 -67.56 1.01 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.576 0.703 . . . . 0.0 110.862 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.58 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.8 Cg_endo -69.73 109.28 2.27 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.354 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -46.09 102.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.96 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 50.7 t -84.91 148.37 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 81.3 p -112.13 167.34 10.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.149 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 55' ' ' LYS . 4.5 m-20 -67.9 -54.11 21.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 54' ' ' ASP . 3.0 ttmm -34.13 -41.6 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -68.46 -60.93 2.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.463 HG21 ' NE2' ' A' ' 45' ' ' GLN . 15.6 t -42.91 -36.98 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -61.34 -56.73 17.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.426 ' HB3' ' CB ' ' A' ' 62' ' ' LEU . 10.8 t0 -41.46 105.86 0.41 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.607 0.718 . . . . 0.0 110.918 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 59' ' ' ASP . 53.1 Cg_endo -69.77 -34.35 14.72 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.718 2.278 . . . . 0.0 112.301 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -92.69 29.26 1.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.426 ' CB ' ' HB3' ' A' ' 59' ' ' ASP . 7.5 tp -103.56 133.83 47.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.423 ' O ' ' CG1' ' A' ' 63' ' ' VAL . 13.6 p -95.79 106.6 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.581 ' CE3' HG13 ' A' ' 34' ' ' VAL . 21.1 t90 -98.84 132.34 44.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.583 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 17.1 m-85 -131.9 124.04 28.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 67' ' ' ALA . 14.1 p -65.25 145.52 56.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.474 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -35.43 -60.9 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.474 ' C ' ' O ' ' A' ' 67' ' ' ALA . 15.3 mmt180 -32.4 -42.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 76.1 m -84.62 -49.51 8.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.0 m -46.74 -47.19 20.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.23 -33.35 70.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -73.52 -62.85 1.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.519 ' HE1' ' CE1' ' A' ' 65' ' ' TYR . 43.5 mtt -46.14 -34.98 4.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -53.36 140.45 27.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -31.97 66.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 6.4 mtm -61.51 -13.36 20.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -121.54 46.63 2.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.104 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -63.62 134.96 56.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -104.66 143.86 32.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -46.89 -57.74 4.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -45.25 147.75 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -143.68 110.26 5.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.8 t -74.11 136.21 42.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.858 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -76.14 -109.33 0.12 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 151.87 69.46 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.344 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 95.5 p -152.76 125.74 8.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.846 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.7 m -93.7 98.77 11.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.512 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -108.66 177.02 4.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.856 0.36 . . . . 0.0 110.845 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -45.39 115.71 0.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.48 96.15 0.74 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.493 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.6 p -123.31 146.93 47.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.921 0.391 . . . . 0.0 110.861 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m -81.64 -48.23 11.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.854 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.24 124.84 1.97 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -133.07 146.09 51.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 111.077 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -63.33 109.78 1.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -107.57 139.02 42.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.53 -72.37 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -104.59 -33.91 8.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.15 -31.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 15' ' ' MET . 19.7 mt-10 -68.25 -63.35 1.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.448 ' HB2' ' CD2' ' A' ' 17' ' ' LEU . 44.9 mtm -35.55 -37.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.56 57.76 1.92 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.448 ' CD2' ' HB2' ' A' ' 15' ' ' MET . 0.3 OUTLIER -114.29 21.42 14.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.814 0.34 . . . . 0.0 110.906 -179.906 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.425 ' HB3' ' C ' ' A' ' 24' ' ' GLN . . . -113.66 139.43 49.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.462 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.2 p -58.07 179.52 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.546 HG11 ' CZ ' ' A' ' 43' ' ' TYR . 0.9 OUTLIER -104.21 -16.33 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.09 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.473 ' CB ' ' HB3' ' A' ' 47' ' ' CYS . 99.6 t -69.07 -75.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.0 p -90.54 -15.87 29.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.4 mtm-85 66.83 50.68 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.425 ' C ' ' HB3' ' A' ' 18' ' ' ALA . 59.4 mt-30 -126.0 163.65 22.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 14.2 mtm -114.76 1.24 14.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.9 m -73.53 128.47 35.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.127 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.8 m -138.18 -175.57 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -148.22 -175.12 4.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.075 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.6 p -61.23 -57.0 14.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.04 -41.89 8.38 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.5 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 -90.37 95.1 10.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.762 0.315 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.472 ' HB2' ' NE2' ' A' ' 45' ' ' GLN . 24.1 mm-40 -109.05 -174.5 2.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.59 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 3.7 mt -101.73 161.47 13.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.584 HG11 ' CE3' ' A' ' 64' ' ' TRP . 16.4 t -136.77 159.88 37.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -134.82 126.65 29.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.4 t -71.1 162.32 29.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -98.68 -34.53 10.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.67 -68.67 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.813 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.9 m -72.1 -25.1 61.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 63.16 38.72 10.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -105.84 149.76 26.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.462 ' CB ' ' HA ' ' A' ' 19' ' ' CYS . 68.2 mt -85.45 131.66 34.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.546 ' CZ ' HG11 ' A' ' 20' ' ' VAL . 29.3 m-85 -136.22 116.12 13.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.965 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.59 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.1 m80 -60.04 125.79 25.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.472 ' NE2' ' HB2' ' A' ' 32' ' ' GLN . 82.4 mt-30 -34.9 -31.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.508 ' N ' ' O ' ' A' ' 44' ' ' HIS . 32.2 t0 -91.09 -65.33 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.473 ' HB3' ' CB ' ' A' ' 21' ' ' VAL . 84.8 m -34.84 -40.02 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.845 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.434 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.9 t-80 -63.07 156.78 23.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.598 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 20.3 mttt -62.24 -68.29 0.85 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.564 0.697 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.598 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.8 Cg_endo -69.78 111.21 2.75 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.671 2.247 . . . . 0.0 112.332 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -47.57 101.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 38.2 t -81.31 137.42 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 75.7 p -92.06 -175.28 4.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.56 -37.65 17.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -62.88 -40.39 97.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -57.74 -46.49 84.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.444 HG22 ' N ' ' A' ' 58' ' ' ASN . 18.7 m -71.45 -28.25 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.444 ' N ' HG22 ' A' ' 57' ' ' VAL . 2.8 m-80 -73.51 -46.45 47.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -48.54 107.41 0.75 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.658 0.742 . . . . 0.0 110.801 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -30.14 22.71 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.706 2.271 . . . . 0.0 112.333 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -91.26 23.96 3.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.5 tp -115.46 131.54 56.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.484 HG22 ' CZ ' ' A' ' 65' ' ' TYR . 12.2 p -98.75 103.44 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.584 ' CE3' HG11 ' A' ' 34' ' ' VAL . 19.9 t90 -82.1 146.88 29.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.57 ' CE1' ' HE2' ' A' ' 73' ' ' MET . 18.5 m-85 -137.8 151.92 48.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.935 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.457 ' O ' ' C ' ' A' ' 67' ' ' ALA . 26.9 p -100.27 139.19 36.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -31.92 -52.28 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.089 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 67' ' ' ALA . 7.0 mmt180 -36.74 -49.8 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 66' ' ' CYS . 25.6 p -88.85 -48.58 7.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.7 m -40.74 -47.86 2.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.11 -38.19 85.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 69' ' ' CYS . 53.9 mm-40 -69.55 -64.22 0.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.57 ' HE2' ' CE1' ' A' ' 65' ' ' TYR . 12.6 mtt -46.37 -36.31 6.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 75' ' ' ARG . 20.6 mttp -64.11 -48.12 77.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 74' ' ' LYS . 66.4 mtt180 -34.31 -63.54 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.45 ' HG3' ' N ' ' A' ' 77' ' ' ALA . 15.8 ptp -62.74 -48.25 80.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.45 ' N ' ' HG3' ' A' ' 76' ' ' MET . . . 42.24 44.1 3.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.129 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -44.12 138.43 2.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -95.76 167.49 11.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 81' ' ' GLN . 4.1 p30 -106.81 78.9 1.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 80' ' ' ASN . 30.0 mt-30 34.26 42.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.1 mmmt -64.93 -46.9 79.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.2 m -96.7 172.54 7.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -87.24 -124.37 1.87 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 102.95 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.378 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.0 t -161.84 128.7 3.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.7 t -67.51 106.42 2.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.496 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.3 m -142.52 109.36 5.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.909 0.385 . . . . 0.0 110.896 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.0 p -135.64 153.49 51.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.33 -140.61 32.22 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.6 p -172.27 128.08 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.842 0.353 . . . . 0.0 110.848 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 m -123.85 137.97 54.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.12 114.08 3.21 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.471 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 9' ' ' ASP . . . -149.29 138.14 21.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.785 0.326 . . . . 0.0 111.085 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 8' ' ' ALA . 82.1 m-20 -37.91 129.56 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.74 -33.34 75.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.841 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -149.78 -174.98 4.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 74.99 28.23 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.067 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.426 ' HG2' ' N ' ' A' ' 14' ' ' GLU . 6.6 ptm -91.52 -42.73 10.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.857 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.426 ' N ' ' HG2' ' A' ' 13' ' ' MET . 14.9 mt-10 -71.99 -52.62 16.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 96.6 mmm -79.44 -44.07 22.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.32 49.23 38.82 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.484 ' C ' ' CD1' ' A' ' 42' ' ' LEU . 4.3 pp -112.51 13.07 20.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.812 0.339 . . . . 0.0 110.882 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.8 143.89 29.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.451 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.3 p -59.64 -176.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.53 HG13 ' CZ ' ' A' ' 43' ' ' TYR . 0.8 OUTLIER -106.06 -17.09 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.478 ' CB ' ' HB3' ' A' ' 47' ' ' CYS . 98.1 t -69.02 -75.28 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.4 p -91.38 -15.87 28.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.6 mtt-85 65.24 54.84 1.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.855 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -133.08 172.75 12.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -113.88 -18.73 11.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.2 m -46.0 121.95 3.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.6 m -136.36 177.32 6.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.166 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -174.09 167.76 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.9 m -47.04 122.57 4.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.845 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.42 -40.24 2.84 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.435 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -98.39 59.59 1.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.773 0.321 . . . . 0.0 110.885 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -91.8 -174.59 3.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.951 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.58 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 6.9 mt -101.08 143.22 31.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.565 HG12 ' CE3' ' A' ' 64' ' ' TRP . 6.1 t -118.17 155.82 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -127.04 122.19 33.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 37' ' ' GLN . 34.6 t -70.94 162.74 28.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.539 ' O ' ' CD2' ' A' ' 40' ' ' HIS . 51.9 mm-40 -101.12 -37.01 8.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -74.77 -69.39 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -74.27 -23.42 59.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.539 ' CD2' ' O ' ' A' ' 37' ' ' GLN . 25.7 m-70 63.5 36.43 11.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.825 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -104.94 150.64 24.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.484 ' CD1' ' C ' ' A' ' 17' ' ' LEU . 62.6 mt -86.73 128.02 35.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.53 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 23.1 m-85 -132.11 114.58 14.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.58 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.0 m80 -56.6 127.73 32.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.44 ' OE1' ' C ' ' A' ' 52' ' ' VAL . 11.8 mt-30 -38.77 -25.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 44' ' ' HIS . 3.5 t0 -96.82 -65.03 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.478 ' HB3' ' CB ' ' A' ' 21' ' ' VAL . 89.6 m -34.31 -39.86 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.412 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.8 t-80 -60.02 161.11 7.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.591 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 2.2 mmmp? -64.87 -67.97 0.91 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.571 0.7 . . . . 0.0 110.904 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.591 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.8 Cg_endo -69.72 109.63 2.35 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.662 2.241 . . . . 0.0 112.323 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -46.8 99.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.44 ' C ' ' OE1' ' A' ' 45' ' ' GLN . 25.6 t -75.36 139.95 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.8 p -105.43 173.8 6.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 55' ' ' LYS . 18.3 m-20 -67.39 -58.7 4.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 54' ' ' ASP . 43.5 mmtt -33.54 -37.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 54' ' ' ASP . 13.1 mm-40 -71.26 -74.92 0.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.6 m -47.45 -21.21 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.411 ' ND2' ' HB3' ' A' ' 54' ' ' ASP . 17.8 m-20 -72.55 -43.58 63.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.45 ' HB3' ' CB ' ' A' ' 62' ' ' LEU . 10.2 t0 -58.7 110.14 2.4 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.609 0.719 . . . . 0.0 110.866 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 -36.76 9.97 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.317 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 61' ' ' ARG . 19.1 mtm105 -93.78 31.62 1.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.45 ' CB ' ' HB3' ' A' ' 59' ' ' ASP . 3.5 tp -105.78 138.71 41.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.541 HG12 ' CE2' ' A' ' 65' ' ' TYR . 91.9 t -98.39 101.05 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.565 ' CE3' HG12 ' A' ' 34' ' ' VAL . 23.7 t90 -87.96 151.64 22.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.555 ' CE1' ' HE1' ' A' ' 73' ' ' MET . 21.3 m-85 -142.05 147.27 36.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 67' ' ' ALA . 30.5 p -98.98 141.35 31.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -30.98 -52.54 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.091 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 67' ' ' ALA . 3.8 mmm180 -36.32 -51.94 0.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 72' ' ' GLN . 20.9 p -86.48 -49.8 7.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 27.2 m -39.64 -47.99 2.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.415 ' C ' ' HD3' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -59.63 -35.67 74.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 69' ' ' CYS . 30.2 mm-40 -68.84 -62.14 1.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.555 ' HE1' ' CE1' ' A' ' 65' ' ' TYR . 17.2 mtt -54.05 -40.87 67.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -62.99 136.77 58.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.6 ptp85 -116.84 -27.86 6.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 81.8 mmm -64.78 -12.65 49.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -96.51 42.12 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.454 HE21 ' NE2' ' A' ' 81' ' ' GLN . 14.0 pt20 -115.3 147.91 39.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -128.03 170.71 12.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 62.64 52.51 2.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.454 ' NE2' HE21 ' A' ' 78' ' ' GLN . 19.6 pt20 -125.88 132.93 52.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.96 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -125.48 85.76 2.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.9 t -131.52 40.71 3.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.841 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.403 ' HA2' ' HD2' ' A' ' 85' ' ' PRO . . . 77.36 96.38 0.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.496 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.403 ' HD2' ' HA2' ' A' ' 84' ' ' GLY . 54.0 Cg_endo -69.7 -0.42 6.83 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.727 2.284 . . . . 0.0 112.356 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 95.1 p -106.1 106.54 17.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.5 t -124.9 121.41 34.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.171 -0.794 . . . . 0.0 112.489 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t -171.48 122.23 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 0.0 110.838 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t -153.5 118.69 5.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.68 84.53 0.34 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.509 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.7 t -103.55 114.76 29.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.861 0.362 . . . . 0.0 110.871 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -59.41 122.4 13.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.43 -132.17 38.85 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.472 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -161.98 117.57 1.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 111.093 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -70.92 153.05 43.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.83 161.59 30.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -157.13 152.81 26.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -46.82 -44.77 19.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.439 ' O ' ' C ' ' A' ' 14' ' ' GLU . 0.9 OUTLIER -40.23 -46.44 2.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 13' ' ' MET . 6.3 mm-40 -34.65 -66.99 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.2 mmt -82.96 -47.81 11.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.4 68.27 1.49 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -125.48 23.27 7.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.796 0.332 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -119.56 142.6 48.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.082 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.467 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.8 p -63.44 179.98 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.53 HG13 ' CZ ' ' A' ' 43' ' ' TYR . 0.8 OUTLIER -104.47 -16.01 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.48 ' CB ' ' HB3' ' A' ' 47' ' ' CYS . 86.9 t -70.39 -75.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.1 p -90.54 -12.17 37.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 62.78 53.62 2.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -132.06 167.65 19.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.85 -15.59 13.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.2 t -48.82 142.93 5.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.191 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.2 m -154.76 175.17 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.05 167.36 3.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 m -50.0 122.74 7.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.31 -32.56 5.15 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.448 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -114.04 69.04 0.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.33 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.466 ' HB2' ' NE2' ' A' ' 45' ' ' GLN . 0.6 OUTLIER -93.99 179.12 5.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.591 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 10.1 mt -97.9 159.31 15.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.562 HG13 ' CE3' ' A' ' 64' ' ' TRP . 4.5 t -138.26 155.33 28.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.079 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -128.07 121.84 30.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.488 ' SG ' ' N ' ' A' ' 37' ' ' GLN . 10.8 t -69.27 163.2 25.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.594 ' O ' ' CD2' ' A' ' 40' ' ' HIS . 70.9 mm-40 -98.94 -40.13 8.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.16 -71.24 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.0 m -70.04 -24.92 63.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.594 ' CD2' ' O ' ' A' ' 37' ' ' GLN . 27.0 m-70 63.53 34.61 12.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -102.65 153.8 19.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.467 ' CB ' ' HA ' ' A' ' 19' ' ' CYS . 64.9 mt -89.95 129.53 36.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.53 ' CZ ' HG13 ' A' ' 20' ' ' VAL . 28.6 m-85 -133.43 116.58 16.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.591 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.2 m80 -61.24 126.22 26.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.889 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.466 ' NE2' ' HB2' ' A' ' 32' ' ' GLN . 46.9 mt-30 -34.35 -33.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 44' ' ' HIS . 21.5 t0 -89.11 -65.28 1.03 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.48 ' HB3' ' CB ' ' A' ' 21' ' ' VAL . 94.2 m -35.25 -38.21 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.418 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.8 t-80 -63.73 154.53 32.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.817 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.607 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 0.2 OUTLIER -60.23 -69.0 0.62 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.584 0.707 . . . . 0.0 110.921 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.607 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.3 Cg_endo -69.81 112.13 3.0 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -47.53 103.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.408 ' CG1' ' N ' ' A' ' 53' ' ' THR . 98.7 t -77.1 156.98 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.408 ' N ' ' CG1' ' A' ' 52' ' ' VAL . 34.7 p -107.94 -176.6 3.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.147 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.507 ' O ' ' ND2' ' A' ' 58' ' ' ASN . 9.8 t0 -92.37 -29.6 16.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.3 mttt -70.43 -37.38 74.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -63.24 -60.5 3.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.844 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.441 HG21 ' NE2' ' A' ' 45' ' ' GLN . 20.3 m -55.1 -33.18 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.092 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 54' ' ' ASP . 26.4 m-20 -68.47 -39.44 81.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.465 ' HB3' ' CB ' ' A' ' 62' ' ' LEU . 4.2 m-20 -51.06 107.43 0.82 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.648 0.737 . . . . 0.0 110.915 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -29.7 23.59 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.67 2.246 . . . . 0.0 112.342 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.0 ppt_? -100.6 26.65 6.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.465 ' CB ' ' HB3' ' A' ' 59' ' ' ASP . 15.1 tp -110.36 134.52 52.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 81.1 t -96.45 102.03 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.562 ' CE3' HG13 ' A' ' 34' ' ' VAL . 62.8 t90 -91.01 132.43 36.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.948 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.511 ' CZ ' ' HE2' ' A' ' 73' ' ' MET . 12.1 m-85 -121.66 148.43 44.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.914 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.466 ' O ' ' C ' ' A' ' 67' ' ' ALA . 30.7 p -98.74 142.05 30.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.876 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.466 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -32.2 -51.25 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -37.86 -50.03 1.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 72' ' ' GLN . 21.5 p -89.0 -50.34 6.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 89.1 m -39.9 -46.28 1.99 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -59.34 -36.6 75.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 69' ' ' CYS . 87.9 mt-30 -68.18 -58.61 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.511 ' HE2' ' CZ ' ' A' ' 65' ' ' TYR . 22.1 mtt -51.56 -36.18 44.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.889 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.9 mttp -47.46 -53.67 13.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.0 mtp180 -38.07 -46.95 1.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.8 mtt 53.56 46.24 26.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 78' ' ' GLN . . . -101.89 50.06 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 77' ' ' ALA . 8.7 mt-30 36.48 44.03 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt -95.78 95.38 8.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -127.49 125.01 39.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.954 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -107.29 161.4 14.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.71 143.08 54.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.7 m -111.29 139.3 46.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -118.27 -97.31 1.84 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.539 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -1.61 8.78 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.687 2.258 . . . . 0.0 112.344 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.47 159.98 25.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.2 t -68.45 156.54 37.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.848 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.132 -0.816 . . . . 0.0 112.507 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m -56.76 133.33 54.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.872 0.368 . . . . 0.0 110.868 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.6 m -135.73 117.3 14.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.906 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.64 -148.1 7.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.508 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 t -135.89 173.32 11.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.871 0.367 . . . . 0.0 110.842 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 m -129.29 42.4 3.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.07 63.63 0.27 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.478 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -47.83 -46.33 30.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.798 0.333 . . . . 0.0 111.062 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -39.78 138.07 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -121.54 98.91 6.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -79.12 -72.17 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -106.59 -0.47 23.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -31.48 72.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -42.46 -66.1 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.47 ' HB2' ' CD2' ' A' ' 17' ' ' LEU . 5.0 mtp -71.23 -25.8 62.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.27 58.18 8.33 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.439 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.47 ' CD2' ' HB2' ' A' ' 15' ' ' MET . 0.4 OUTLIER -115.73 25.36 10.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.37 . . . . 0.0 110.956 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' A' ' 24' ' ' GLN . . . -114.06 138.95 49.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.062 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.474 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.3 p -63.51 -176.51 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.548 HG11 ' CZ ' ' A' ' 43' ' ' TYR . 1.3 p -105.9 -21.13 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.157 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.48 ' CB ' ' HB3' ' A' ' 47' ' ' CYS . 58.6 t -65.82 -75.24 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.116 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 16.9 p -90.6 -14.43 32.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.7 mtm-85 63.91 53.89 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.424 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 53.8 mm-40 -135.32 171.39 14.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -113.93 -9.59 13.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.0 m -52.43 118.23 3.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.9 m -135.12 -178.12 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 30' ' ' GLY . . . -164.66 157.99 17.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.078 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 28' ' ' ALA . 68.6 m -35.7 -33.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 28' ' ' ALA . . . -103.86 -46.28 1.4 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.482 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 -88.43 80.6 7.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.754 0.311 . . . . 0.0 110.928 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -99.6 -175.82 3.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.969 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.565 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 11.5 mt -105.83 161.24 14.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.946 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.565 HG12 ' CE3' ' A' ' 64' ' ' TRP . 16.1 t -140.28 155.35 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -126.12 130.69 51.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.415 ' SG ' ' N ' ' A' ' 37' ' ' GLN . 42.0 t -75.91 163.68 26.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.431 ' O ' ' CE1' ' A' ' 40' ' ' HIS . 8.7 mm-40 -102.72 -34.33 9.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.489 ' O ' ' CD2' ' A' ' 40' ' ' HIS . 3.6 tp10 -77.11 -62.36 1.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.462 ' C ' ' CD2' ' A' ' 40' ' ' HIS . 1.8 m -82.3 -33.44 29.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.847 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.489 ' CD2' ' O ' ' A' ' 38' ' ' GLU . 17.1 m-70 75.0 36.6 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -103.01 152.32 21.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.474 ' CB ' ' HA ' ' A' ' 19' ' ' CYS . 71.5 mt -87.13 128.0 35.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.548 ' CZ ' HG11 ' A' ' 20' ' ' VAL . 28.6 m-85 -134.66 117.55 16.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.565 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.4 m80 -60.67 128.37 36.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -38.89 -25.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.951 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 44' ' ' HIS . 14.7 t70 -96.82 -63.78 1.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.48 ' HB3' ' CB ' ' A' ' 21' ' ' VAL . 92.4 m -35.79 -40.28 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.8 t-80 -61.77 157.19 18.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.612 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 13.3 mmtp -61.24 -68.69 0.73 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.573 0.701 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.612 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.9 Cg_endo -69.76 109.05 2.22 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.714 2.276 . . . . 0.0 112.362 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -46.71 103.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 26.7 t -75.92 123.49 32.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.7 p -85.68 159.99 19.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 55' ' ' LYS . 5.6 t0 -60.33 -58.32 9.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 54' ' ' ASP . 10.8 tttt -32.96 -37.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.854 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 54' ' ' ASP . 4.2 mm-40 -77.64 -57.75 3.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -46.76 -33.26 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.14 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -68.17 -55.01 13.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -41.28 101.83 0.25 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.621 0.724 . . . . 0.0 110.881 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -32.27 18.93 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.699 2.266 . . . . 0.0 112.341 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.8 mtt85 -95.81 29.46 2.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.2 tp -105.07 125.46 51.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.502 HG13 ' CZ ' ' A' ' 65' ' ' TYR . 96.2 t -83.31 100.96 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.565 ' CE3' HG12 ' A' ' 34' ' ' VAL . 16.5 t90 -87.61 147.28 25.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.577 ' CE1' ' HE1' ' A' ' 73' ' ' MET . 22.8 m-85 -135.3 144.38 46.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.465 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 30.6 p -99.28 143.23 29.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -34.66 -47.94 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -39.86 -49.91 2.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.465 ' SG ' ' O ' ' A' ' 66' ' ' CYS . 15.0 p -86.88 -47.22 9.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 50.8 m -41.35 -45.15 2.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 72' ' ' GLN . 9.2 ptm180 -59.12 -35.73 73.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 69' ' ' CYS . 10.4 mm-40 -69.45 -62.55 1.33 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.577 ' HE1' ' CE1' ' A' ' 65' ' ' TYR . 26.3 mtt -45.32 -37.72 5.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.411 ' CB ' ' HB3' ' A' ' 77' ' ' ALA . 21.4 mmtp -67.1 137.31 56.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 76' ' ' MET . 17.7 ptt180 -86.1 -39.86 16.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.435 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 54.4 mmm -88.01 30.37 0.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.411 ' HB3' ' CB ' ' A' ' 74' ' ' LYS . . . -129.81 41.08 3.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.081 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -129.46 149.68 51.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 33.9 mtmt -127.36 110.65 13.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.9 p30 44.06 41.76 4.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -89.43 145.71 25.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -95.86 41.46 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.8 m -136.74 167.74 20.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -158.72 88.99 0.11 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.528 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 168.93 20.07 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 2.262 . . . . 0.0 112.335 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.3 p -96.6 155.95 16.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 t -147.28 172.07 14.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.832 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.139 -0.812 . . . . 0.0 112.465 179.944 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.602 ' O ' HD12 ' A' ' 17' ' ' LEU . 4.6 pp . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.831 0.348 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.438 ' HB2' ' HG3' ' A' ' 25' ' ' MET . . . -101.36 149.89 23.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.481 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.7 p -62.43 -179.32 0.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.769 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -104.09 -17.48 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.606 HG21 ' HB3' ' A' ' 47' ' ' CYS . 95.3 t -69.54 -75.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.092 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.1 p -91.71 -12.25 34.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.1 mtp180 62.46 54.79 2.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 -132.44 175.07 9.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.438 ' HG3' ' HB2' ' A' ' 18' ' ' ALA . 2.5 mpp? -118.14 -11.96 10.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.0 m -51.2 122.68 8.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.6 m -137.69 165.89 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.1 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.849 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.877 0.37 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.566 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 12.7 mt -109.16 156.52 19.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.492 HG22 HG12 ' A' ' 57' ' ' VAL . 4.7 t -137.47 151.82 26.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.059 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -120.98 126.42 49.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 23.1 t -71.31 161.9 30.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.521 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 25.8 mm-40 -98.78 -26.65 14.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.78 -70.57 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.9 p -73.08 -22.79 60.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 62.66 34.39 14.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -100.21 151.24 21.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.769 ' O ' HG12 ' A' ' 20' ' ' VAL . 55.7 mt -85.1 129.87 34.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -134.14 114.4 13.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.566 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.6 m80 -60.01 124.39 20.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.852 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.517 ' OE1' HG12 ' A' ' 52' ' ' VAL . 12.1 mt-30 -35.58 -30.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 44' ' ' HIS . 39.6 t0 -90.23 -64.85 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.606 ' HB3' HG21 ' A' ' 21' ' ' VAL . 86.2 m -36.38 -39.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -63.55 155.02 30.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.608 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 2.5 mtpt -60.44 -68.43 0.78 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.602 0.715 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.608 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.3 Cg_endo -69.81 107.6 1.9 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.717 2.278 . . . . 0.0 112.322 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -46.6 101.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.517 HG12 ' OE1' ' A' ' 45' ' ' GLN . 19.5 t -74.26 134.54 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.404 ' O ' ' OE1' ' A' ' 45' ' ' GLN . 35.1 p -89.89 158.79 17.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.502 ' O ' HG22 ' A' ' 57' ' ' VAL . 11.1 t0 -63.9 -35.54 80.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.849 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -64.79 -39.55 93.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.561 ' O ' HD23 ' A' ' 62' ' ' LEU . 22.7 mt-10 -59.22 -54.52 45.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 54' ' ' ASP . 23.0 m -56.74 -37.74 54.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 -65.3 -47.43 76.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -42.04 102.31 0.27 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.641 0.734 . . . . 0.0 110.83 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -27.79 25.86 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.666 2.244 . . . . 0.0 112.351 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -100.18 25.65 7.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.561 HD23 ' O ' ' A' ' 56' ' ' GLU . 17.9 tp -106.47 137.06 45.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.965 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.587 ' O ' HG13 ' A' ' 63' ' ' VAL . 7.7 p -99.19 101.81 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 12.4 t90 -89.24 133.12 34.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.521 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 10.1 m-85 -134.02 117.8 17.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.2 p -65.57 144.17 57.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -39.32 -56.19 1.59 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.069 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 67' ' ' ALA . 13.3 mmt180 -35.1 -38.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 88.7 m -88.29 -50.78 6.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 34.2 m . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 -179.922 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.524 ' O ' HD12 ' A' ' 17' ' ' LEU . 4.6 pp . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.818 0.342 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.408 ' HB1' ' O ' ' A' ' 24' ' ' GLN . . . -90.08 151.13 21.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.08 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.494 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -64.67 -177.38 0.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.729 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -104.77 -18.96 6.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.645 HG21 ' HB3' ' A' ' 47' ' ' CYS . 86.0 t -67.42 -76.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.405 ' C ' ' HD2' ' A' ' 23' ' ' ARG . 21.0 p -92.24 -6.62 50.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.471 ' HD2' ' N ' ' A' ' 23' ' ' ARG . 2.4 mpt_? 56.12 55.05 7.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.408 ' O ' ' HB1' ' A' ' 18' ' ' ALA . 16.3 mt-30 -134.98 -179.49 5.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 37.9 mtm -122.95 -8.93 8.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.2 m -53.15 118.25 3.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.9 m -132.18 -176.14 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.081 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.08 179.872 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.825 0.345 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.577 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 4.9 mt -103.61 152.81 21.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.566 HG11 ' CD2' ' A' ' 64' ' ' TRP . 21.2 t -128.53 158.1 40.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.468 ' N ' HG12 ' A' ' 34' ' ' VAL . 49.2 tt0 -128.66 130.46 47.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.9 t -75.61 162.32 28.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.595 ' HG3' HG23 ' A' ' 63' ' ' VAL . 5.6 mm-40 -98.89 -29.15 13.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -86.52 -70.05 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.6 p -72.93 -24.02 60.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 62.48 36.35 14.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.827 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -102.48 145.46 29.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.729 ' O ' HG12 ' A' ' 20' ' ' VAL . 42.4 mt -80.05 129.92 34.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -133.48 114.62 13.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.914 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.577 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.9 m80 -58.68 123.63 17.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.807 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 44' ' ' HIS . 27.2 mt-30 -34.98 -31.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 44' ' ' HIS . 14.3 t70 -89.45 -63.55 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.645 ' HB3' HG21 ' A' ' 21' ' ' VAL . 79.8 m -36.07 -42.65 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -60.04 156.56 14.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.603 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 21.6 mtmt -60.54 -68.88 0.66 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.538 0.685 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.603 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 54.0 Cg_endo -69.75 111.0 2.69 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.714 2.276 . . . . 0.0 112.38 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -47.1 102.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.493 HG11 HG21 ' A' ' 34' ' ' VAL . 22.2 t -79.18 133.29 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 74.4 p -105.11 165.6 10.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 55' ' ' LYS . 11.0 m-20 -57.66 -53.54 57.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.456 ' N ' ' HD3' ' A' ' 55' ' ' LYS . 6.9 mmtt -33.73 -44.08 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -64.11 -74.03 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.519 ' CG1' HG22 ' A' ' 34' ' ' VAL . 5.2 m -42.14 -35.24 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.113 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 38.8 m-20 -63.7 -46.81 83.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -56.47 109.2 1.53 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.624 0.726 . . . . 0.0 110.839 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -41.47 4.24 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.66 2.24 . . . . 0.0 112.396 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -86.9 30.17 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.5 tp -108.17 130.99 55.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.659 ' O ' HG13 ' A' ' 63' ' ' VAL . 10.0 p -95.97 103.15 14.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.566 ' CD2' HG11 ' A' ' 34' ' ' VAL . 27.2 t90 -89.13 131.37 35.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -128.03 126.53 41.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 67' ' ' ALA . 15.8 p -77.6 142.4 38.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -36.62 -55.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 67' ' ' ALA . 19.7 mmt-85 -34.36 -43.11 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 88.4 m -83.39 -48.31 10.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.9 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.756 0.313 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' A' ' 24' ' ' GLN . . . -103.92 142.96 33.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.479 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.4 p -58.91 -179.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.787 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -103.86 -15.61 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 179.861 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.605 HG21 ' HB3' ' A' ' 47' ' ' CYS . 99.8 t -70.79 -75.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.104 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.3 p -90.83 -14.14 32.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.6 mtp85 64.05 54.9 1.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.404 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 37.3 mt-30 -134.87 172.76 12.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.5 mtm -114.94 -7.16 12.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 99.7 m -54.63 129.41 36.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.8 m -144.94 175.49 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.175 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 179.892 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.8 0.333 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.579 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 9.7 mt -105.72 166.35 10.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.524 HG22 ' CG1' ' A' ' 57' ' ' VAL . 14.5 t -145.55 149.24 16.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -119.97 126.62 51.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 35.9 t -71.58 162.86 28.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.619 ' HG3' HG23 ' A' ' 63' ' ' VAL . 1.8 mm100 -99.07 -28.85 13.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -87.6 -70.28 0.64 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.5 p -73.03 -22.0 60.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 61.63 31.43 18.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -97.33 148.94 22.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.787 ' O ' HG12 ' A' ' 20' ' ' VAL . 72.2 mt -84.21 129.57 34.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -134.4 114.4 12.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.579 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.5 m80 -59.27 124.37 19.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 44' ' ' HIS . 16.2 mt-30 -34.92 -31.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 44' ' ' HIS . 24.9 t70 -89.98 -65.28 1.03 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.605 ' HB3' HG21 ' A' ' 21' ' ' VAL . 92.8 m -35.05 -39.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.419 ' O ' ' O ' ' A' ' 46' ' ' ASP . 2.1 t-80 -63.24 153.7 33.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.604 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 10.3 mptt -58.61 -68.37 0.72 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.634 0.73 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.604 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.9 Cg_endo -69.73 112.19 3.01 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.672 2.248 . . . . 0.0 112.366 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -49.62 100.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.401 HG13 ' OE1' ' A' ' 56' ' ' GLU . 33.1 t -77.8 130.53 36.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.9 p -96.4 163.09 13.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.435 ' HA ' HG22 ' A' ' 57' ' ' VAL . 2.9 m-20 -63.2 -48.5 78.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -42.41 -25.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.659 ' O ' HD22 ' A' ' 62' ' ' LEU . 38.2 mt-10 -81.81 -69.9 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.524 ' CG1' HG22 ' A' ' 34' ' ' VAL . 19.0 m -50.8 -27.05 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.181 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -65.02 -38.41 90.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 62' ' ' LEU . 8.6 t70 -61.57 117.86 31.89 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.628 0.728 . . . . 0.0 110.823 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -37.15 9.77 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -101.81 38.2 1.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.659 HD22 ' O ' ' A' ' 56' ' ' GLU . 1.9 tp -106.79 123.31 47.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.619 HG23 ' HG3' ' A' ' 37' ' ' GLN . 11.0 p -85.72 109.47 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.428 ' CD2' HG11 ' A' ' 34' ' ' VAL . 28.2 t90 -99.87 129.42 45.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -124.43 120.08 31.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 67' ' ' ALA . 15.9 p -74.64 141.22 44.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.482 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -33.54 -59.57 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.482 ' C ' ' O ' ' A' ' 67' ' ' ALA . 15.5 mmt180 -30.68 -45.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 83.9 m -83.86 -49.56 8.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.2 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.49 ' O ' ' CD1' ' A' ' 33' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.796 0.331 . . . . 0.0 110.875 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.661 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -124.0 144.97 49.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.468 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -69.55 -177.92 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.796 HG12 ' O ' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -104.73 -21.26 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.575 HG21 ' HB3' ' A' ' 47' ' ' CYS . 88.1 t -64.37 -75.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.432 ' C ' ' HD3' ' A' ' 23' ' ' ARG . 16.7 p -91.06 -6.07 54.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.432 ' HD3' ' C ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER 55.38 54.44 8.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -134.9 172.94 12.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.629 ' HG3' ' HB2' ' A' ' 18' ' ' ALA . 2.2 mpt? -114.21 -15.74 12.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.0 m -44.15 123.85 3.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.495 HG13 ' O ' ' A' ' 25' ' ' MET . 13.4 m -140.56 175.91 5.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.131 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.865 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.824 0.345 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.575 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 10.1 mt -97.27 160.59 14.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.701 HG11 ' CD2' ' A' ' 64' ' ' TRP . 22.0 t -140.35 160.94 25.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.525 ' N ' HG12 ' A' ' 34' ' ' VAL . 49.5 tt0 -134.07 134.29 42.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 40' ' ' HIS . 42.8 t -79.08 163.24 25.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.978 ' HG3' HG23 ' A' ' 63' ' ' VAL . 8.7 mm100 -97.57 -35.85 10.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -80.49 -69.65 0.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.29 -26.75 63.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.489 ' CD2' ' O ' ' A' ' 37' ' ' GLN . 34.2 m-70 63.14 39.58 9.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -106.7 150.18 26.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.796 ' O ' HG12 ' A' ' 20' ' ' VAL . 52.8 mt -84.99 127.18 34.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.403 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 30.2 m-85 -132.98 116.62 16.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.575 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.7 m80 -59.67 129.22 40.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.889 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -39.66 -25.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 44' ' ' HIS . 0.6 OUTLIER -97.16 -64.74 1.01 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.575 ' HB3' HG21 ' A' ' 21' ' ' VAL . 95.3 m -36.62 -40.42 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.563 ' CE1' ' HA ' ' A' ' 66' ' ' CYS . 1.9 t-80 -62.6 157.13 21.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.594 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 4.1 mptp? -59.92 -68.09 0.85 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.521 0.676 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.594 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 54.0 Cg_endo -69.75 109.51 2.33 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.72 2.28 . . . . 0.0 112.34 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -50.02 101.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.7 t -82.82 136.54 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 46.1 p -98.25 169.02 9.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 55' ' ' LYS . 8.5 p-10 -71.66 -57.85 4.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 54' ' ' ASP . 10.8 ttmt -35.24 -36.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 54' ' ' ASP . 23.1 mm-40 -77.14 -60.56 2.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.407 HG23 HG22 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -45.96 -29.95 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 59' ' ' ASP . 50.2 m-20 -64.04 -54.78 28.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.458 ' HB3' ' CB ' ' A' ' 62' ' ' LEU . 11.2 t0 -36.44 111.03 0.48 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.586 0.708 . . . . 0.0 110.898 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 59' ' ' ASP . 54.2 Cg_endo -69.68 -37.93 8.68 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -94.18 32.3 1.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.458 ' CB ' ' HB3' ' A' ' 59' ' ' ASP . 4.9 tp -107.38 124.42 49.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.978 HG23 ' HG3' ' A' ' 37' ' ' GLN . 2.5 p -88.43 109.52 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.164 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.701 ' CD2' HG11 ' A' ' 34' ' ' VAL . 40.7 t90 -96.07 146.9 24.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.959 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.405 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 38.2 m-85 -134.22 155.43 50.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.563 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 22.7 p -105.7 138.04 42.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.491 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -30.45 -54.94 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 67' ' ' ALA . 2.5 mmp_? -33.7 -51.11 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 26.2 p -88.11 -44.4 10.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -179.97 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.812 0.339 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.611 ' HB2' ' HG3' ' A' ' 25' ' ' MET . . . -117.61 141.51 48.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.486 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.3 p -62.62 -178.62 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.844 HG12 ' O ' ' A' ' 42' ' ' LEU . 1.2 p -104.9 -21.44 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.582 HG21 ' HB3' ' A' ' 47' ' ' CYS . 82.3 t -64.16 -75.04 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.4 p -90.9 -11.2 39.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 61.31 52.26 3.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -133.06 172.96 11.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.611 ' HG3' ' HB2' ' A' ' 18' ' ' ALA . 1.8 mpt? -115.46 -10.71 11.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.7 m -50.4 122.32 6.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.123 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.0 m -137.86 -178.1 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.889 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.839 0.352 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.583 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 8.9 mt -98.69 170.18 8.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.497 HG11 ' CD2' ' A' ' 64' ' ' TRP . 14.0 t -151.32 154.36 8.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -126.84 127.63 45.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.6 t -70.33 163.24 27.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.649 ' HG3' HG13 ' A' ' 63' ' ' VAL . 10.3 mm100 -103.45 -32.65 9.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.956 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -78.62 -59.39 2.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.0 m -84.2 -32.27 24.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 13.4 m80 74.13 37.71 0.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -107.0 151.29 25.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.844 ' O ' HG12 ' A' ' 20' ' ' VAL . 93.6 mt -86.12 128.87 34.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.945 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.409 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 27.1 m-85 -134.52 116.13 14.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.583 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.4 m80 -60.34 125.62 24.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.826 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.466 ' HG2' ' CG1' ' A' ' 52' ' ' VAL . 26.2 mt-30 -35.84 -29.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 44' ' ' HIS . 3.4 t70 -91.63 -64.56 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.582 ' HB3' HG21 ' A' ' 21' ' ' VAL . 84.8 m -36.9 -38.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.494 ' CE1' ' HA ' ' A' ' 66' ' ' CYS . 1.8 t-80 -63.9 159.92 18.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.596 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 0.2 OUTLIER -63.95 -68.06 0.9 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.538 0.685 . . . . 0.0 110.909 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.596 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 54.0 Cg_endo -69.75 110.07 2.46 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.695 2.264 . . . . 0.0 112.36 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -48.45 103.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.466 ' CG1' ' HG2' ' A' ' 45' ' ' GLN . 86.4 t -76.56 128.7 37.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 58.7 p -94.36 166.61 11.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -65.11 -57.64 8.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 54' ' ' ASP . 3.4 ttmm -33.52 -38.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 54' ' ' ASP . 15.0 mt-10 -74.86 -61.61 1.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -44.35 -32.52 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -62.6 -55.7 24.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.456 ' HB3' ' CB ' ' A' ' 62' ' ' LEU . 6.7 t70 -41.86 102.67 0.27 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.596 0.712 . . . . 0.0 110.856 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -30.73 21.74 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.679 2.253 . . . . 0.0 112.366 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -100.4 29.27 4.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.456 ' CB ' ' HB3' ' A' ' 59' ' ' ASP . 12.9 tp -99.61 133.17 44.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.649 HG13 ' HG3' ' A' ' 37' ' ' GLN . 86.7 t -90.39 97.02 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.497 ' CD2' HG11 ' A' ' 34' ' ' VAL . 27.5 t90 -85.45 144.71 27.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -132.88 145.29 50.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.938 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.494 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 26.0 p -98.98 140.63 32.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.87 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.474 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -28.83 -56.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.073 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 67' ' ' ALA . 8.5 mmt180 -33.4 -53.24 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 21.3 p -85.3 -49.9 7.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.2 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.766 ' O ' HD13 ' A' ' 33' ' ' LEU . 4.6 pp . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.814 0.34 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.416 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -86.27 146.45 26.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.075 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.489 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -66.38 -174.4 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.775 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.7 OUTLIER -108.77 -18.58 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.149 179.93 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.526 HG21 ' HB3' ' A' ' 47' ' ' CYS . 90.1 t -68.72 -75.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.4 p -89.45 -15.33 33.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 66.08 50.27 1.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -129.09 171.75 12.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.483 ' HB3' HD11 ' A' ' 17' ' ' LEU . 66.0 mtm -118.32 -4.27 10.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.1 m -59.32 121.37 11.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.8 m -132.66 -179.3 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.852 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.825 0.345 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.766 HD13 ' O ' ' A' ' 17' ' ' LEU . 6.5 mt -100.88 158.18 16.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.406 HG11 ' CD2' ' A' ' 64' ' ' TRP . 3.1 t -130.66 155.9 42.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -128.81 119.83 25.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 24.9 t -65.17 161.31 19.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.543 ' N ' ' CD ' ' A' ' 37' ' ' GLN . 4.7 mm-40 -99.5 -26.92 13.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -87.23 -69.13 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.5 p -74.36 -21.64 59.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 62.42 32.82 16.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -97.23 150.1 21.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.775 ' O ' HG12 ' A' ' 20' ' ' VAL . 68.4 mt -87.69 126.64 35.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -131.75 121.65 24.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.582 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.0 m80 -64.31 128.54 36.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.883 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -38.81 -25.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.95 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 44' ' ' HIS . 29.8 t70 -96.55 -62.9 1.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.526 ' HB3' HG21 ' A' ' 21' ' ' VAL . 87.6 m -36.14 -40.92 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -60.9 155.3 20.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.611 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 13.5 mtmm -59.52 -69.07 0.59 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.596 0.712 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.611 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.7 Cg_endo -69.76 112.77 3.17 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -47.85 103.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 36.7 t -77.69 131.43 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.3 p -85.36 -176.18 6.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.159 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.507 ' O ' ' ND2' ' A' ' 58' ' ' ASN . 19.6 m-20 -89.06 -32.01 17.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -70.12 -38.25 75.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.565 ' O ' HD23 ' A' ' 62' ' ' LEU . 6.1 mm-40 -58.68 -61.04 2.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.0 m -56.74 -34.0 42.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 54' ' ' ASP . 1.9 m-80 -63.56 -57.96 8.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.429 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 3.7 t70 -41.2 101.85 0.25 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.55 0.69 . . . . 0.0 110.89 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 59' ' ' ASP . 53.7 Cg_endo -69.76 -10.66 29.1 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.675 2.25 . . . . 0.0 112.318 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.29 5.75 40.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.857 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.565 HD23 ' O ' ' A' ' 56' ' ' GLU . 16.1 tp -97.19 138.83 34.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.553 ' CG2' ' CE2' ' A' ' 65' ' ' TYR . 1.9 p -100.37 107.56 21.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.406 ' CD2' HG11 ' A' ' 34' ' ' VAL . 7.6 t90 -87.04 133.26 33.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.553 ' CE2' ' CG2' ' A' ' 63' ' ' VAL . 13.6 m-85 -133.54 115.11 14.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 18.2 p -65.51 148.09 52.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.459 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -38.6 -56.81 1.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.459 ' C ' ' O ' ' A' ' 67' ' ' ALA . 6.0 mmt180 -33.45 -41.81 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 85.8 m -87.76 -47.73 8.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.0 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 -179.946 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.41 ' O ' HD13 ' A' ' 33' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.844 0.354 . . . . 0.0 110.952 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -103.81 149.7 24.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.082 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.477 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -64.27 -176.44 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.715 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -106.36 -18.43 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.12 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.522 HG21 ' HB3' ' A' ' 47' ' ' CYS . 68.3 t -68.51 -75.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.7 p -90.92 -13.17 34.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 63.05 53.33 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -130.51 175.93 8.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.5 mtm -123.33 0.47 8.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.0 m -63.52 120.83 12.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.15 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.2 m -135.54 168.96 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.087 179.863 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.81 0.338 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.58 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 11.2 mt -103.55 155.28 18.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.543 HG11 ' CD2' ' A' ' 64' ' ' TRP . 10.6 t -133.0 159.66 43.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.459 ' N ' HG12 ' A' ' 34' ' ' VAL . 8.7 tt0 -129.79 125.65 36.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 44.6 t -72.06 159.95 33.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.426 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 21.3 mm-40 -98.34 -28.25 13.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -86.55 -70.51 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.2 p -71.91 -22.94 61.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 62.65 36.18 13.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -103.69 150.33 24.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.715 ' O ' HG12 ' A' ' 20' ' ' VAL . 25.0 mt -84.52 128.6 34.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.976 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.431 ' CE1' HG11 ' A' ' 20' ' ' VAL . 23.6 m-85 -131.91 118.8 20.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.58 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.5 m80 -64.58 123.59 19.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.883 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 44' ' ' HIS . 91.4 mt-30 -35.38 -30.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.512 ' N ' ' O ' ' A' ' 44' ' ' HIS . 38.0 t70 -89.9 -62.54 1.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.522 ' HB3' HG21 ' A' ' 21' ' ' VAL . 90.7 m -38.94 -38.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.488 ' CE1' ' HA ' ' A' ' 66' ' ' CYS . 1.8 t-160 -64.49 166.77 7.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.566 ' HG3' ' N ' ' A' ' 50' ' ' PRO . 1.2 tppt? -72.82 -63.25 1.14 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.591 0.71 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.566 ' N ' ' HG3' ' A' ' 49' ' ' LYS . 54.3 Cg_endo -69.75 106.85 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.707 2.272 . . . . 0.0 112.342 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -46.0 98.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 50' ' ' PRO . 38.5 t -83.55 143.46 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 67.9 p -113.75 175.7 5.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.448 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 0.5 OUTLIER -69.77 -54.73 12.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.847 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.5 tttm -39.04 -30.24 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 54' ' ' ASP . 10.5 mm-40 -72.75 -72.4 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.425 ' CG1' HG22 ' A' ' 34' ' ' VAL . 15.1 m -47.46 -29.19 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -61.67 -43.24 99.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.402 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 5.6 t70 -62.74 110.69 3.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.57 0.7 . . . . 0.0 110.871 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 59' ' ' ASP . 54.1 Cg_endo -69.77 -38.12 8.21 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.667 2.244 . . . . 0.0 112.367 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 76.2 mtm-85 -85.35 27.77 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 tp -105.22 142.8 34.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.524 ' CG1' ' CE2' ' A' ' 65' ' ' TYR . 92.9 t -107.2 106.74 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.543 ' CD2' HG11 ' A' ' 34' ' ' VAL . 10.0 t90 -96.37 133.88 40.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.524 ' CE2' ' CG1' ' A' ' 63' ' ' VAL . 20.2 m-85 -133.36 118.11 18.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.488 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 14.7 p -69.02 139.8 54.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.489 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -33.61 -59.34 0.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.489 ' C ' ' O ' ' A' ' 67' ' ' ALA . 2.5 mmm180 -30.25 -46.85 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.831 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 84.3 m -81.47 -49.21 10.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.1 m . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.132 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.66 ' O ' HD13 ' A' ' 33' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.04 0 CA-C-O 120.864 0.364 . . . . 0.0 110.925 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.514 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -109.82 145.02 37.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.133 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.474 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.3 p -64.38 -179.17 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.787 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -105.74 -16.52 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.566 HG21 ' HB3' ' A' ' 47' ' ' CYS . 87.3 t -68.69 -75.17 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.9 p -90.49 -11.57 39.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 62.73 53.31 2.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -131.33 168.29 17.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.402 ' CG ' ' HB2' ' A' ' 18' ' ' ALA . 15.3 mtm -112.05 -18.59 12.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.424 ' O ' ' NE2' ' A' ' 44' ' ' HIS . 15.1 t -50.74 147.69 4.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.155 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.7 m -153.81 -175.15 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.035 179.866 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.82 0.343 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.66 HD13 ' O ' ' A' ' 17' ' ' LEU . 6.8 mt -95.36 159.24 15.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.632 HG11 ' CD2' ' A' ' 64' ' ' TRP . 39.9 t -138.1 156.2 30.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.455 ' N ' HG12 ' A' ' 34' ' ' VAL . 10.9 tt0 -128.29 131.3 48.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 40' ' ' HIS . 48.6 t -75.92 163.5 27.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.705 ' HG3' HG13 ' A' ' 63' ' ' VAL . 9.0 mm100 -99.58 -35.27 9.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.425 ' OE1' ' C ' ' A' ' 38' ' ' GLU . 1.8 tm-20 -80.34 -66.95 0.82 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 m -74.18 -25.44 59.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.475 ' CD2' ' O ' ' A' ' 37' ' ' GLN . 33.6 m-70 62.88 38.07 11.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -106.22 149.62 26.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.787 ' O ' HG12 ' A' ' 20' ' ' VAL . 76.2 mt -85.47 128.38 34.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.402 ' CD1' ' HD2' ' A' ' 48' ' ' HIS . 28.8 m-85 -133.8 113.53 12.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.59 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.3 m80 -56.63 126.2 25.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.821 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.552 ' NE2' HG21 ' A' ' 57' ' ' VAL . 18.5 mt-30 -36.49 -29.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 44' ' ' HIS . 1.8 t0 -92.7 -65.43 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.566 ' HB3' HG21 ' A' ' 21' ' ' VAL . 90.9 m -35.15 -39.2 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.409 ' CE1' ' HA ' ' A' ' 66' ' ' CYS . 1.8 t-80 -61.03 158.24 13.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.592 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 0.8 OUTLIER -63.38 -68.06 0.91 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.572 0.701 . . . . 0.0 110.929 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.592 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.9 Cg_endo -69.8 111.3 2.78 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.368 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -47.0 101.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.442 ' C ' ' OE1' ' A' ' 45' ' ' GLN . 50.7 t -76.31 147.99 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.423 ' C ' ' OE1' ' A' ' 45' ' ' GLN . 38.4 p -106.05 172.89 6.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 56' ' ' GLU . 0.6 OUTLIER -73.53 -55.66 6.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -34.71 -34.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.46 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 8.1 mt-10 -68.91 -66.85 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.552 HG21 ' NE2' ' A' ' 45' ' ' GLN . 1.4 t -40.83 -40.82 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -63.42 -56.41 16.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.413 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 4.6 m-20 -40.02 101.08 0.23 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.621 0.724 . . . . 0.0 110.854 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 59' ' ' ASP . 53.7 Cg_endo -69.76 -28.6 25.03 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.634 2.223 . . . . 0.0 112.378 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -101.35 28.25 5.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.6 tp -104.67 136.48 44.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.705 HG13 ' HG3' ' A' ' 37' ' ' GLN . 84.0 t -98.94 101.7 12.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.632 ' CD2' HG11 ' A' ' 34' ' ' VAL . 38.0 t90 -88.56 146.62 25.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -135.81 146.73 47.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.459 ' O ' ' C ' ' A' ' 67' ' ' ALA . 28.5 p -97.68 142.23 29.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -32.25 -53.06 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 67' ' ' ALA . 9.0 mmt-85 -36.4 -49.61 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 24.8 p -89.85 -49.12 6.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 29.5 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.183 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.571 ' O ' HD13 ' A' ' 33' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.82 0.343 . . . . 0.0 110.905 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.528 ' HB2' ' CG ' ' A' ' 25' ' ' MET . . . -116.33 140.53 49.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.098 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.494 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.2 p -62.92 179.0 0.41 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.743 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -104.67 -13.6 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.646 HG21 ' HB3' ' A' ' 47' ' ' CYS . 82.2 t -72.11 -75.49 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.076 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.0 p -92.44 -10.35 38.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.9 mtp85 61.24 53.03 3.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -122.76 160.56 25.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.528 ' CG ' ' HB2' ' A' ' 18' ' ' ALA . 2.0 mtt -114.36 0.42 14.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.5 m -93.45 117.51 30.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.083 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.3 m -103.85 -173.94 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.438 ' O ' ' NE2' ' A' ' 32' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.438 ' NE2' ' O ' ' A' ' 28' ' ' ALA . 1.3 mp0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.848 0.356 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.589 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 6.8 mt -106.86 133.3 51.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.469 HG22 ' CG1' ' A' ' 57' ' ' VAL . 2.7 t -115.85 153.47 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.104 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -123.4 123.29 40.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 22.1 t -66.06 165.05 14.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.477 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 13.0 mm100 -103.7 -33.11 9.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.426 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 2.8 tm-20 -80.4 -63.83 1.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.7 p -80.84 -25.26 37.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 42.3 m80 67.54 30.25 6.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -97.27 145.82 25.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.743 ' O ' HG12 ' A' ' 20' ' ' VAL . 40.4 mt -81.99 130.56 35.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.401 ' CD1' ' HD2' ' A' ' 48' ' ' HIS . 27.5 m-85 -134.04 108.08 8.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.589 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.8 m80 -52.33 124.65 13.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.493 HE21 HG11 ' A' ' 57' ' ' VAL . 33.4 mt-30 -36.79 -28.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.517 ' N ' ' O ' ' A' ' 44' ' ' HIS . 5.4 t70 -92.27 -64.7 1.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.837 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.646 ' HB3' HG21 ' A' ' 21' ' ' VAL . 98.2 m -36.72 -38.85 0.18 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.401 ' HD2' ' CD1' ' A' ' 43' ' ' TYR . 1.8 t-80 -62.06 157.87 17.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.591 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 1.6 mmmp? -61.36 -68.29 0.84 Allowed Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.608 0.718 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.591 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 54.1 Cg_endo -69.68 110.93 2.66 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.68 2.253 . . . . 0.0 112.403 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -48.22 102.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 57.6 t -77.8 147.49 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 77.4 p -102.93 -177.62 3.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -86.89 -23.3 25.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.8 tptt -75.87 -33.91 60.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.634 ' O ' HD23 ' A' ' 62' ' ' LEU . 17.5 mt-10 -64.2 -54.65 30.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.493 HG11 HE21 ' A' ' 45' ' ' GLN . 34.9 m -58.47 -42.08 83.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.451 ' N ' HG23 ' A' ' 57' ' ' VAL . 2.5 m-80 -59.58 -49.74 76.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -43.96 104.04 0.36 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.585 0.707 . . . . 0.0 110.888 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -37.11 9.79 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.708 2.272 . . . . 0.0 112.35 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -88.2 26.32 1.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.634 HD23 ' O ' ' A' ' 56' ' ' GLU . 22.1 tp -109.6 142.67 40.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.598 ' O ' HG13 ' A' ' 63' ' ' VAL . 10.1 p -106.74 108.65 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -93.57 134.61 35.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.477 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 10.0 m-85 -135.01 117.0 15.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 67' ' ' ALA . 16.7 p -61.21 143.42 55.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.489 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -32.45 -62.24 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.083 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.489 ' C ' ' O ' ' A' ' 67' ' ' ALA . 18.7 mtt180 -31.15 -63.49 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 64.4 m -63.22 -44.48 95.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 86.9 m . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.164 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.703 ' O ' HD13 ' A' ' 33' ' ' LEU . 4.6 pp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.804 0.335 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.514 ' HB2' ' HG3' ' A' ' 25' ' ' MET . . . -83.87 142.85 30.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.497 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.1 p -60.55 -175.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.841 HG12 ' O ' ' A' ' 42' ' ' LEU . 1.2 p -106.04 -20.69 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.622 HG21 ' HB3' ' A' ' 47' ' ' CYS . 98.9 t -65.94 -75.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.7 p -90.33 -12.03 38.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.8 mtt180 62.79 52.18 2.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.416 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 7.7 mm-40 -133.38 169.81 16.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.514 ' HG3' ' HB2' ' A' ' 18' ' ' ALA . 2.5 mpt? -111.79 -11.29 13.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.3 m -52.25 126.45 18.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.181 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.8 m -138.62 -179.21 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.875 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.816 0.341 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.703 HD13 ' O ' ' A' ' 17' ' ' LEU . 7.5 mt -97.16 158.54 15.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.641 HG11 ' CD2' ' A' ' 64' ' ' TRP . 19.1 t -133.41 152.18 34.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -124.63 121.39 34.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 23.4 t -65.62 164.32 14.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.538 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 12.3 mm100 -103.85 -32.97 9.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -83.07 -60.68 2.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.3 p -82.45 -23.36 34.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 55.5 m80 63.96 32.01 13.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -96.86 148.05 23.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.841 ' O ' HG12 ' A' ' 20' ' ' VAL . 94.3 mt -86.21 128.8 34.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.406 ' CE1' HG11 ' A' ' 20' ' ' VAL . 38.6 m-85 -133.34 121.32 22.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.591 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 1.8 m80 -65.37 124.21 21.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.818 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 44' ' ' HIS . 19.5 mt-30 -34.15 -32.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.52 ' N ' ' O ' ' A' ' 44' ' ' HIS . 2.8 p-10 -89.88 -63.74 1.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.622 ' HB3' HG21 ' A' ' 21' ' ' VAL . 96.4 m -36.41 -39.0 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.8 t-80 -63.2 159.09 18.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.601 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 0.7 OUTLIER -62.4 -68.53 0.78 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.599 0.714 . . . . 0.0 110.895 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.601 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.9 Cg_endo -69.74 112.45 3.08 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.664 2.242 . . . . 0.0 112.361 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -48.88 101.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.2 t -83.7 139.14 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.9 p -101.82 174.79 5.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.44 ' C ' ' OD1' ' A' ' 58' ' ' ASN . 1.6 p-10 -75.93 -54.6 6.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -37.58 -31.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 54' ' ' ASP . 8.6 mt-10 -73.53 -72.51 0.26 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.859 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.598 ' CG1' HG22 ' A' ' 34' ' ' VAL . 32.9 m -47.73 -22.91 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.44 ' OD1' ' C ' ' A' ' 54' ' ' ASP . 20.8 m120 -66.04 -36.5 83.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.408 ' HB3' ' CB ' ' A' ' 62' ' ' LEU . 39.4 t0 -63.65 115.02 15.33 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.618 0.723 . . . . 0.0 110.844 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.64 -33.26 17.42 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.725 2.283 . . . . 0.0 112.384 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -99.31 34.77 2.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.408 ' CB ' ' HB3' ' A' ' 59' ' ' ASP . 0.9 OUTLIER -104.18 146.85 28.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.413 ' CG1' ' CE2' ' A' ' 65' ' ' TYR . 71.4 t -108.51 111.14 34.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.641 ' CD2' HG11 ' A' ' 34' ' ' VAL . 25.0 t90 -105.69 136.06 45.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.538 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 28.1 m-85 -133.66 126.44 30.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 67' ' ' ALA . 17.0 p -76.76 149.03 36.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.48 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -37.16 -60.13 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.097 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.48 ' C ' ' O ' ' A' ' 67' ' ' ALA . 7.3 mmm180 -31.58 -41.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.425 ' N ' ' O ' ' A' ' 67' ' ' ALA . 74.7 m -91.17 -43.03 10.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.6 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.179 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.662 ' O ' HD12 ' A' ' 17' ' ' LEU . 4.4 pp . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.804 0.335 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -93.82 148.0 22.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.076 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.487 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.4 p -62.02 -179.52 0.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.719 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -103.89 -16.46 7.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.878 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.592 HG21 ' HB3' ' A' ' 47' ' ' CYS . 67.5 t -70.08 -76.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.8 p -90.16 -14.95 32.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.8 mtm180 65.14 52.77 1.44 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.826 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -133.74 -176.98 4.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.702 ' O ' HG13 ' A' ' 27' ' ' VAL . 14.3 mtm -122.6 -19.93 6.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.8 m -41.89 125.22 2.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.143 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.702 HG13 ' O ' ' A' ' 25' ' ' MET . 30.1 m -140.79 172.69 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.859 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.816 0.341 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.575 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 13.1 mt -103.81 157.26 17.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.465 HG11 ' CD2' ' A' ' 64' ' ' TRP . 20.3 t -137.83 154.81 29.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.406 ' N ' HG12 ' A' ' 34' ' ' VAL . 1.9 tm-20 -124.34 128.08 48.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 33.7 t -73.6 160.84 31.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.551 ' HG3' HG12 ' A' ' 63' ' ' VAL . 8.6 mm-40 -101.55 -24.34 14.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -88.47 -63.88 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.9 p -81.35 -26.82 35.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 41.4 m80 68.12 36.02 3.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.85 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -103.67 145.62 29.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.719 ' O ' HG12 ' A' ' 20' ' ' VAL . 44.3 mt -80.05 127.71 32.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.453 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 27.6 m-85 -132.63 114.83 14.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.575 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.9 m80 -60.67 124.76 21.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.853 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 44' ' ' HIS . 10.2 mt-30 -36.32 -29.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 44' ' ' HIS . 11.8 t0 -90.76 -65.04 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.592 ' HB3' HG21 ' A' ' 21' ' ' VAL . 95.6 m -36.65 -38.54 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -63.51 155.41 29.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.599 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 8.7 mmtp -60.88 -68.35 0.82 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.595 0.712 . . . . 0.0 110.919 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.599 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 54.1 Cg_endo -69.74 109.87 2.41 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.684 2.256 . . . . 0.0 112.362 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -47.41 100.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 98.6 t -72.12 146.35 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 62.7 p -111.54 177.27 4.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.184 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -76.61 -45.35 30.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.923 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -43.03 -29.13 0.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -76.46 -70.23 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.7 m -48.21 -34.73 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -63.61 -37.41 87.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.458 ' HB3' ' CB ' ' A' ' 62' ' ' LEU . 2.9 m-20 -64.73 111.34 5.53 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.64 0.733 . . . . 0.0 110.866 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -42.92 2.97 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.671 2.247 . . . . 0.0 112.333 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -91.35 33.02 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.477 ' HG ' ' N ' ' A' ' 63' ' ' VAL . 0.1 OUTLIER -107.13 149.91 27.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.551 HG12 ' HG3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -112.9 123.82 68.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.829 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.465 ' CD2' HG11 ' A' ' 34' ' ' VAL . 14.2 t90 -107.49 131.21 54.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -126.93 118.91 25.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 67' ' ' ALA . 20.3 p -72.51 143.05 48.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.472 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -33.61 -57.05 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 67' ' ' ALA . 17.3 mmt180 -32.54 -46.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 67.1 m -83.18 -49.45 9.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.4 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.129 -179.93 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.613 ' O ' HD13 ' A' ' 33' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.797 0.332 . . . . 0.0 110.886 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.609 ' HB2' ' HG3' ' A' ' 25' ' ' MET . . . -106.53 145.45 31.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.479 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.1 p -66.35 -177.77 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.803 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -105.32 -20.66 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.557 HG21 ' HB3' ' A' ' 47' ' ' CYS . 95.2 t -65.74 -75.77 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.0 p -90.36 -12.24 38.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 49.9 mtp85 62.12 52.47 3.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -130.69 172.05 12.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.609 ' HG3' ' HB2' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -115.78 -6.73 12.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.2 m -56.21 123.02 13.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.16 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.0 m -135.72 -176.53 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 179.889 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.769 0.319 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.613 HD13 ' O ' ' A' ' 17' ' ' LEU . 7.5 mt -96.27 164.05 12.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.674 HG11 ' CD2' ' A' ' 64' ' ' TRP . 15.7 t -138.77 155.79 27.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.152 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.414 ' N ' HG12 ' A' ' 34' ' ' VAL . 26.7 tt0 -128.72 128.69 44.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.0 t -76.54 162.98 27.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.478 ' HG3' HG13 ' A' ' 63' ' ' VAL . 10.5 mm100 -104.25 -32.18 9.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -78.55 -58.17 3.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.2 m -85.88 -33.37 21.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 12.4 m80 74.01 39.37 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -108.56 148.61 30.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.803 ' O ' HG12 ' A' ' 20' ' ' VAL . 70.5 mt -84.28 127.77 34.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -133.62 118.11 17.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.958 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.577 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.2 m80 -61.72 127.04 29.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 44' ' ' HIS . 25.3 mt-30 -36.71 -29.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 44' ' ' HIS . 5.9 t70 -93.12 -63.92 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.557 ' HB3' HG21 ' A' ' 21' ' ' VAL . 87.1 m -36.66 -39.35 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.512 ' CE1' ' HA ' ' A' ' 66' ' ' CYS . 1.8 t-80 -62.57 160.95 12.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.58 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 3.7 mmmt -64.28 -67.51 1.04 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.599 0.714 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.58 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.7 Cg_endo -69.73 110.92 2.67 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.7 2.267 . . . . 0.0 112.354 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -48.62 101.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.7 t -83.64 137.44 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.7 p -101.98 179.57 4.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -72.86 -49.22 31.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.69 -33.88 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -72.36 -72.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.522 HG12 HG22 ' A' ' 34' ' ' VAL . 16.0 m -46.28 -26.24 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -64.82 -50.2 67.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -60.29 110.56 2.97 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.636 0.731 . . . . 0.0 110.9 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -37.51 9.07 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.668 2.245 . . . . 0.0 112.346 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 42.7 mtt180 -88.98 29.27 1.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 tp -105.05 130.49 53.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.478 HG13 ' HG3' ' A' ' 37' ' ' GLN . 94.1 t -91.58 107.44 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.674 ' CD2' HG11 ' A' ' 34' ' ' VAL . 24.9 t90 -94.22 150.65 20.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -140.07 144.51 36.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.512 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 26.6 p -96.65 140.99 30.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -30.1 -55.13 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 67' ' ' ALA . 2.5 mmm180 -34.82 -53.09 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 70' ' ' THR . 22.7 p -85.56 -50.1 7.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.403 ' HB ' ' HA ' ' A' ' 67' ' ' ALA . 80.8 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.548 ' O ' HD13 ' A' ' 33' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.854 0.359 . . . . 0.0 110.925 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.557 ' HB2' ' HG3' ' A' ' 25' ' ' MET . . . -112.87 144.71 41.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.071 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.469 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -63.79 -177.38 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 -179.895 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.767 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -105.51 -18.94 6.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 179.92 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.583 HG21 ' HB3' ' A' ' 47' ' ' CYS . 94.1 t -66.53 -75.65 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.1 p -90.77 -12.37 36.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 61.71 51.9 3.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -130.34 176.19 8.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.557 ' HG3' ' HB2' ' A' ' 18' ' ' ALA . 2.1 mpt? -117.95 -14.13 10.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.5 m -48.6 123.43 6.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.138 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.458 HG13 ' O ' ' A' ' 25' ' ' MET . 17.2 m -138.85 -175.67 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.164 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.892 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.817 0.341 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.585 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 9.3 mt -100.65 153.61 19.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.746 HG11 ' CD2' ' A' ' 64' ' ' TRP . 46.1 t -130.25 158.29 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.497 ' N ' HG12 ' A' ' 34' ' ' VAL . 1.4 tm-20 -130.06 131.06 45.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 37' ' ' GLN . 41.1 t -77.54 163.24 26.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.907 ' HG3' HG23 ' A' ' 63' ' ' VAL . 26.3 mm100 -99.96 -35.87 9.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.7 -68.07 0.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.7 m -74.27 -25.97 59.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.522 ' CD2' ' O ' ' A' ' 37' ' ' GLN . 24.1 m-70 63.55 41.62 7.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -109.82 150.59 28.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.767 ' O ' HG12 ' A' ' 20' ' ' VAL . 66.0 mt -84.85 126.86 33.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -131.7 114.32 14.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.585 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.3 m80 -57.86 125.57 23.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' HIS . 19.9 mt-30 -37.51 -27.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -93.61 -64.5 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.583 ' HB3' HG21 ' A' ' 21' ' ' VAL . 85.3 m -36.79 -38.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.414 ' CE1' ' HA ' ' A' ' 66' ' ' CYS . 1.8 t-80 -62.76 157.93 19.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.602 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 24.6 mtmt -62.69 -68.4 0.82 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.608 0.718 . . . . 0.0 110.949 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.602 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.8 Cg_endo -69.78 109.42 2.31 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.669 2.246 . . . . 0.0 112.337 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -46.82 102.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.52 HG11 HG21 ' A' ' 34' ' ' VAL . 92.3 t -76.52 138.37 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 64.7 p -97.24 176.41 5.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 56' ' ' GLU . 2.0 m-20 -75.03 -58.78 3.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 54' ' ' ASP . 8.0 pttm -33.94 -34.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 54' ' ' ASP . 8.5 mm-40 -62.37 -67.5 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 54' ' ' ASP . 34.6 m -55.05 -33.32 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -56.95 -46.09 82.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.466 ' HB3' ' CB ' ' A' ' 62' ' ' LEU . 25.2 t0 -61.2 113.6 8.4 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.592 0.71 . . . . 0.0 110.857 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -39.6 6.47 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.37 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -94.46 35.09 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.484 ' HG ' ' N ' ' A' ' 63' ' ' VAL . 0.1 OUTLIER -100.99 150.27 23.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.907 HG23 ' HG3' ' A' ' 37' ' ' GLN . 7.1 p -113.28 109.88 30.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.746 ' CD2' HG11 ' A' ' 34' ' ' VAL . 39.7 t90 -101.13 152.61 20.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.548 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 41.9 m-85 -142.23 153.8 44.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.453 ' O ' ' C ' ' A' ' 67' ' ' ALA . 27.3 p -106.46 143.51 34.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.919 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -32.75 -54.53 0.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 67' ' ' ALA . 1.9 mmm180 -33.81 -48.34 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.839 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 25.8 p -92.85 -48.68 6.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.4 m . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.135 -179.939 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.505 ' O ' HD13 ' A' ' 33' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.84 0.352 . . . . 0.0 110.954 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.506 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -108.88 140.81 41.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.472 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -62.65 -177.33 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.778 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -106.26 -17.64 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.085 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.552 HG21 ' HB3' ' A' ' 47' ' ' CYS . 65.5 t -68.93 -75.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.4 p -90.51 -12.57 36.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.8 mtt85 63.29 51.01 2.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -132.04 173.31 11.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.406 ' O ' HG13 ' A' ' 27' ' ' VAL . 2.3 mpt? -115.41 -10.79 11.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 93.6 m -48.47 126.36 11.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.406 HG13 ' O ' ' A' ' 25' ' ' MET . 16.0 m -143.11 -176.97 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.175 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.863 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.835 0.35 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.552 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 10.0 mt -104.33 163.65 12.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 42' ' ' LEU . 3.5 t -138.27 151.84 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -123.96 122.65 38.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.846 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 23.8 t -66.92 164.7 16.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.455 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 13.4 mm100 -103.91 -30.36 10.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.26 -62.74 1.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.3 p -82.21 -24.27 34.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 65.39 34.09 8.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -97.88 148.02 23.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.778 ' O ' HG12 ' A' ' 20' ' ' VAL . 92.8 mt -84.86 126.33 33.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -131.92 118.8 20.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.552 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.2 m80 -62.81 127.62 32.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -38.98 -25.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 44' ' ' HIS . 29.9 t70 -96.57 -64.09 1.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.552 ' HB3' HG21 ' A' ' 21' ' ' VAL . 88.0 m -36.0 -39.63 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.9 t-80 -61.91 156.11 21.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.602 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 3.8 mmtm -61.25 -68.29 0.84 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.53 0.681 . . . . 0.0 110.925 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.602 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 54.2 Cg_endo -69.77 109.27 2.27 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.713 2.275 . . . . 0.0 112.355 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -46.78 101.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.2 t -71.47 141.42 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 75.2 p -100.78 169.6 8.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.69 -44.17 62.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -44.93 -28.47 0.67 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -77.37 -70.91 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 33.0 m -43.87 -27.31 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -73.28 -51.67 16.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.425 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 2.0 m-20 -51.64 107.68 0.89 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.608 0.718 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 59' ' ' ASP . 53.6 Cg_endo -69.77 -24.06 30.03 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 2.256 . . . . 0.0 112.327 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.405 ' HD2' ' O ' ' A' ' 61' ' ' ARG . 1.2 ppt_? -107.05 28.29 8.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.411 ' HB2' ' HB3' ' A' ' 59' ' ' ASP . 2.3 tp -97.11 144.3 27.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.1 t -104.09 107.67 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 18.5 t90 -100.92 132.93 46.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.455 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 16.3 m-85 -130.58 116.85 18.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.4 p -67.8 144.9 55.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.462 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -38.78 -57.65 1.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.462 ' C ' ' O ' ' A' ' 67' ' ' ALA . 14.2 mmt180 -32.85 -41.06 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 86.7 m -86.75 -49.61 7.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.7 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.126 -179.976 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.705 ' O ' HD12 ' A' ' 17' ' ' LEU . 4.2 pp . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.817 0.341 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -96.23 147.08 24.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.473 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -61.87 -178.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.8 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -104.1 -18.34 6.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.145 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.592 HG21 ' HB3' ' A' ' 47' ' ' CYS . 89.4 t -67.72 -76.05 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.8 p -90.98 -12.04 37.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 61.77 52.16 3.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -129.16 172.28 11.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.474 ' HB3' HD11 ' A' ' 17' ' ' LEU . 37.0 mtp -116.35 -12.81 11.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 95.7 m -53.0 129.19 29.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.8 m -143.7 -179.31 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.88 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.787 0.327 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.585 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 7.2 mt -97.16 164.3 12.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.981 HG22 HG12 ' A' ' 57' ' ' VAL . 10.6 t -138.92 153.46 25.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.066 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -122.73 128.07 50.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.451 ' SG ' ' N ' ' A' ' 37' ' ' GLN . 36.5 t -76.1 163.34 27.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.61 ' HG3' HG13 ' A' ' 63' ' ' VAL . 7.3 mm100 -100.62 -36.82 9.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.963 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.432 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 0.2 OUTLIER -76.97 -69.38 0.53 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.839 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 40' ' ' HIS . 1.5 m -74.43 -23.75 58.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.462 ' CD2' ' O ' ' A' ' 37' ' ' GLN . 31.3 m-70 63.82 33.47 12.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.811 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -100.87 154.01 19.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.8 ' O ' HG12 ' A' ' 20' ' ' VAL . 55.8 mt -88.54 130.9 35.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -134.95 117.16 15.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.585 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.4 m80 -60.52 127.3 31.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.63 ' NE2' HG11 ' A' ' 57' ' ' VAL . 22.1 mt-30 -37.39 -28.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 44' ' ' HIS . 12.7 t0 -94.25 -64.88 1.03 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.592 ' HB3' HG21 ' A' ' 21' ' ' VAL . 91.2 m -34.9 -38.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.423 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.7 t-80 -61.97 158.35 16.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.807 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.595 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 34.1 mttt -63.73 -68.13 0.89 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.594 0.712 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.595 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.8 Cg_endo -69.87 110.43 2.57 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.626 2.218 . . . . 0.0 112.351 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -45.74 103.78 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.46 ' CG1' ' HG2' ' A' ' 45' ' ' GLN . 89.8 t -73.35 144.6 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.4 ' O ' ' OE1' ' A' ' 45' ' ' GLN . 63.7 p -94.98 176.99 6.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.91 -34.81 38.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -65.59 -43.2 90.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -55.58 -59.98 4.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.981 HG12 HG22 ' A' ' 34' ' ' VAL . 26.8 m -53.82 -36.33 29.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -67.48 -48.33 67.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -40.03 101.66 0.24 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.723 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -36.04 11.5 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.714 2.276 . . . . 0.0 112.329 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.9 ptp180 -100.13 34.93 2.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.0 tp -110.91 140.42 45.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.61 HG13 ' HG3' ' A' ' 37' ' ' GLN . 97.3 t -97.29 93.92 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.508 ' CD2' HG11 ' A' ' 34' ' ' VAL . 60.8 t90 -86.43 136.7 33.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.52 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 19.5 m-85 -126.18 148.48 49.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.463 ' O ' ' C ' ' A' ' 67' ' ' ALA . 27.4 p -99.22 140.49 33.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.463 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -30.9 -52.97 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 67' ' ' ALA . 14.5 mmt-85 -35.65 -50.5 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 21.6 p -88.17 -48.64 7.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.3 m . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.196 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.683 ' O ' HD12 ' A' ' 17' ' ' LEU . 4.0 pp . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.835 0.35 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -101.43 143.43 31.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.089 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.488 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.9 p -62.9 178.46 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.791 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -104.56 -10.53 9.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.522 HG21 ' HB3' ' A' ' 47' ' ' CYS . 99.3 t -75.87 -75.66 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.6 p -90.84 -11.93 37.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 62.75 54.3 2.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -132.02 173.07 11.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.586 ' HB3' HD11 ' A' ' 17' ' ' LEU . 63.3 mtm -118.31 -2.98 11.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.6 m -56.78 124.25 17.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.204 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.0 m -144.28 166.27 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.909 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.786 0.327 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.591 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 4.4 mt -102.79 156.45 17.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.564 HG11 ' CD2' ' A' ' 64' ' ' TRP . 14.5 t -134.01 155.65 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.41 ' N ' HG12 ' A' ' 34' ' ' VAL . 31.8 tt0 -123.38 134.58 53.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.6 t -82.86 158.07 22.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.595 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 75.5 mm-40 -93.78 -29.45 15.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.94 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.411 ' HB3' ' SG ' ' A' ' 69' ' ' CYS . 0.7 OUTLIER -86.29 -64.35 1.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 69' ' ' CYS . 3.9 m -71.38 -25.71 62.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.406 ' HB2' ' O ' ' A' ' 39' ' ' CYS . 54.6 m-70 63.68 26.52 14.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -98.89 -174.39 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.791 ' O ' HG12 ' A' ' 20' ' ' VAL . 45.4 mt -116.85 132.29 56.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.51 ' CE1' HG11 ' A' ' 20' ' ' VAL . 31.8 m-85 -132.59 114.9 14.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.591 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.7 m80 -58.88 124.17 18.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.486 ' NE2' ' O ' ' A' ' 52' ' ' VAL . 10.4 mt-30 -32.78 -35.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 44' ' ' HIS . 23.1 t0 -86.55 -63.81 1.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.522 ' HB3' HG21 ' A' ' 21' ' ' VAL . 81.4 m -35.92 -36.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.428 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.8 t-80 -65.06 159.23 23.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.58 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 50.4 mttt -65.03 -67.56 1.01 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.576 0.703 . . . . 0.0 110.862 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.58 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.8 Cg_endo -69.73 109.28 2.27 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.354 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -46.09 102.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.96 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.486 ' O ' ' NE2' ' A' ' 45' ' ' GLN . 50.7 t -84.91 148.37 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 81.3 p -112.13 167.34 10.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.149 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 55' ' ' LYS . 4.5 m-20 -67.9 -54.11 21.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 54' ' ' ASP . 3.0 ttmm -34.13 -41.6 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -68.46 -60.93 2.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.466 HG21 ' OE1' ' A' ' 45' ' ' GLN . 15.6 t -42.91 -36.98 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -61.34 -56.73 17.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.441 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 10.8 t0 -41.46 105.86 0.41 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.607 0.718 . . . . 0.0 110.918 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 59' ' ' ASP . 53.1 Cg_endo -69.77 -34.35 14.72 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.718 2.278 . . . . 0.0 112.301 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -92.69 29.26 1.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.426 ' CB ' ' HB3' ' A' ' 59' ' ' ASP . 7.5 tp -103.56 133.83 47.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.647 ' O ' HG13 ' A' ' 63' ' ' VAL . 13.6 p -95.79 106.6 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.564 ' CD2' HG11 ' A' ' 34' ' ' VAL . 21.1 t90 -98.84 132.34 44.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.595 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 17.1 m-85 -131.9 124.04 28.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 67' ' ' ALA . 14.1 p -65.25 145.52 56.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.474 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -35.43 -60.9 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.474 ' C ' ' O ' ' A' ' 67' ' ' ALA . 15.3 mmt180 -32.4 -42.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.411 ' SG ' ' HB3' ' A' ' 38' ' ' GLU . 76.1 m -84.62 -49.51 8.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.0 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 -179.905 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.814 0.34 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.568 ' HB2' ' CG ' ' A' ' 25' ' ' MET . . . -113.66 139.43 49.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.471 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.2 p -58.07 179.52 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.826 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -104.21 -16.33 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.09 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.586 HG21 ' HB3' ' A' ' 47' ' ' CYS . 99.6 t -69.07 -75.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.0 p -90.54 -15.87 29.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.4 mtm-85 66.83 50.68 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -126.0 163.65 22.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.568 ' CG ' ' HB2' ' A' ' 18' ' ' ALA . 14.2 mtm -114.76 1.24 14.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.9 m -73.53 128.47 35.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.127 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.8 m -138.18 -175.57 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.075 179.917 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.797 0.332 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.59 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 3.7 mt -101.73 161.47 13.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.64 HG11 ' CD2' ' A' ' 64' ' ' TRP . 16.4 t -136.77 159.88 37.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.483 ' N ' HG12 ' A' ' 34' ' ' VAL . 31.1 tt0 -134.82 126.65 29.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.4 t -71.1 162.32 29.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.85 ' HG3' HG23 ' A' ' 63' ' ' VAL . 9.9 mm100 -98.68 -34.53 10.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.958 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.67 -68.67 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.813 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.9 m -72.1 -25.1 61.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 63.16 38.72 10.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -105.84 149.76 26.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.826 ' O ' HG12 ' A' ' 20' ' ' VAL . 68.2 mt -85.45 131.66 34.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -136.22 116.12 13.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.965 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.59 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.1 m80 -60.04 125.79 25.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 44' ' ' HIS . 24.8 mt-30 -34.9 -31.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.508 ' N ' ' O ' ' A' ' 44' ' ' HIS . 32.2 t0 -91.09 -65.33 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.586 ' HB3' HG21 ' A' ' 21' ' ' VAL . 84.8 m -34.84 -40.02 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.845 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.434 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.9 t-80 -63.07 156.78 23.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.598 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 20.3 mttt -62.24 -68.29 0.85 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.564 0.697 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.598 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.8 Cg_endo -69.78 111.21 2.75 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.671 2.247 . . . . 0.0 112.332 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -47.57 101.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.447 HG11 HG21 ' A' ' 34' ' ' VAL . 38.2 t -81.31 137.42 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 75.7 p -92.06 -175.28 4.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.653 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.8 OUTLIER -86.56 -37.65 17.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -62.88 -40.39 97.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.87 ' O ' HD23 ' A' ' 62' ' ' LEU . 8.3 mt-10 -57.74 -46.49 84.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.653 HG22 ' O ' ' A' ' 54' ' ' ASP . 18.7 m -71.45 -28.25 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -73.51 -46.45 47.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.401 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 34.7 t0 -48.54 107.41 0.75 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.658 0.742 . . . . 0.0 110.801 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 59' ' ' ASP . 53.4 Cg_endo -69.77 -30.14 22.71 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.706 2.271 . . . . 0.0 112.333 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -91.26 23.96 3.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.87 HD23 ' O ' ' A' ' 56' ' ' GLU . 21.5 tp -115.46 131.54 56.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.929 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.85 HG23 ' HG3' ' A' ' 37' ' ' GLN . 12.2 p -98.75 103.44 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.64 ' CD2' HG11 ' A' ' 34' ' ' VAL . 19.9 t90 -82.1 146.88 29.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -137.8 151.92 48.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.935 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.457 ' O ' ' C ' ' A' ' 67' ' ' ALA . 26.9 p -100.27 139.19 36.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -31.92 -52.28 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.089 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 67' ' ' ALA . 7.0 mmt180 -36.74 -49.8 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 25.6 p -88.85 -48.58 7.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.7 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.643 ' O ' HD13 ' A' ' 33' ' ' LEU . 4.3 pp . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.812 0.339 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.8 143.89 29.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.459 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.3 p -59.64 -176.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.774 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -106.06 -17.09 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.614 HG21 ' HB3' ' A' ' 47' ' ' CYS . 98.1 t -69.02 -75.28 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.4 p -91.38 -15.87 28.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.6 mtt-85 65.24 54.84 1.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.855 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -133.08 172.75 12.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.47 ' O ' HG13 ' A' ' 27' ' ' VAL . 2.8 mpp? -113.88 -18.73 11.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.2 m -46.0 121.95 3.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.47 HG13 ' O ' ' A' ' 25' ' ' MET . 12.6 m -136.36 177.32 6.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.166 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.924 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.793 0.33 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.643 HD13 ' O ' ' A' ' 17' ' ' LEU . 6.9 mt -101.08 143.22 31.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.582 HG11 ' CD2' ' A' ' 64' ' ' TRP . 6.1 t -118.17 155.82 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -127.04 122.19 33.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 37' ' ' GLN . 34.6 t -70.94 162.74 28.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.539 ' O ' ' CD2' ' A' ' 40' ' ' HIS . 51.9 mm-40 -101.12 -37.01 8.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -74.77 -69.39 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -74.27 -23.42 59.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.539 ' CD2' ' O ' ' A' ' 37' ' ' GLN . 25.7 m-70 63.5 36.43 11.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.825 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -104.94 150.64 24.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.774 ' O ' HG12 ' A' ' 20' ' ' VAL . 62.6 mt -86.73 128.02 35.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -132.11 114.58 14.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.581 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.0 m80 -56.6 127.73 32.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.44 ' OE1' ' C ' ' A' ' 52' ' ' VAL . 11.8 mt-30 -38.77 -25.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 44' ' ' HIS . 3.5 t0 -96.82 -65.03 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.614 ' HB3' HG21 ' A' ' 21' ' ' VAL . 89.6 m -34.31 -39.86 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.412 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.8 t-80 -60.02 161.11 7.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.591 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 2.2 mmmp? -64.87 -67.97 0.91 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.571 0.7 . . . . 0.0 110.904 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.591 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.8 Cg_endo -69.72 109.63 2.35 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.662 2.241 . . . . 0.0 112.323 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -46.8 99.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.44 ' C ' ' OE1' ' A' ' 45' ' ' GLN . 25.6 t -75.36 139.95 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.8 p -105.43 173.8 6.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 55' ' ' LYS . 18.3 m-20 -67.39 -58.7 4.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 54' ' ' ASP . 43.5 mmtt -33.54 -37.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 54' ' ' ASP . 13.1 mm-40 -71.26 -74.92 0.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.54 HG12 HG22 ' A' ' 34' ' ' VAL . 28.6 m -47.45 -21.21 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -72.55 -43.58 63.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.447 ' HB3' ' CB ' ' A' ' 62' ' ' LEU . 10.2 t0 -58.7 110.14 2.4 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.609 0.719 . . . . 0.0 110.866 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 59' ' ' ASP . 53.1 Cg_endo -69.86 -36.76 9.97 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.317 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 61' ' ' ARG . 19.1 mtm105 -93.78 31.62 1.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.447 ' CB ' ' HB3' ' A' ' 59' ' ' ASP . 3.5 tp -105.78 138.71 41.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.513 HG13 ' HG3' ' A' ' 37' ' ' GLN . 91.9 t -98.39 101.05 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.582 ' CD2' HG11 ' A' ' 34' ' ' VAL . 23.7 t90 -87.96 151.64 22.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -142.05 147.27 36.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 67' ' ' ALA . 30.5 p -98.98 141.35 31.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -30.98 -52.54 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.091 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 67' ' ' ALA . 3.8 mmm180 -36.32 -51.94 0.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 20.9 p -86.48 -49.8 7.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 27.2 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 -179.935 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.421 HD23 ' N ' ' A' ' 17' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.796 0.332 . . . . 0.0 110.885 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.47 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -119.56 142.6 48.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.082 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.476 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.8 p -63.44 179.98 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.782 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -104.47 -16.01 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.61 HG21 ' HB3' ' A' ' 47' ' ' CYS . 86.9 t -70.39 -75.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.1 p -90.54 -12.17 37.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 62.78 53.62 2.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -132.06 167.65 19.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.468 ' SD ' ' HB2' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -111.85 -15.59 13.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.2 t -48.82 142.93 5.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.191 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.2 m -154.76 175.17 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 179.869 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.868 0.366 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.594 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 10.1 mt -97.9 159.31 15.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.675 HG22 ' CG1' ' A' ' 57' ' ' VAL . 4.5 t -138.26 155.33 28.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.079 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -128.07 121.84 30.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.488 ' SG ' ' N ' ' A' ' 37' ' ' GLN . 10.8 t -69.27 163.2 25.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.633 ' HG3' HG13 ' A' ' 63' ' ' VAL . 70.9 mm-40 -98.94 -40.13 8.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.16 -71.24 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.0 m -70.04 -24.92 63.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.531 ' CE1' ' O ' ' A' ' 37' ' ' GLN . 33.5 m80 63.53 34.61 12.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -102.65 153.8 19.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.782 ' O ' HG12 ' A' ' 20' ' ' VAL . 64.9 mt -89.95 129.53 36.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.404 ' CD1' ' HD2' ' A' ' 48' ' ' HIS . 28.6 m-85 -133.43 116.58 16.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.594 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.2 m80 -61.24 126.22 26.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.889 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 44' ' ' HIS . 13.2 mt-30 -34.35 -33.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 44' ' ' HIS . 21.5 t0 -89.11 -65.28 1.03 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.61 ' HB3' HG21 ' A' ' 21' ' ' VAL . 94.2 m -35.25 -38.21 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.418 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.8 t-80 -63.73 154.53 32.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.817 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.607 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 0.2 OUTLIER -60.23 -69.0 0.62 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.584 0.707 . . . . 0.0 110.921 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.607 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.3 Cg_endo -69.81 112.13 3.0 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -47.53 103.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.494 HG12 ' N ' ' A' ' 53' ' ' THR . 98.7 t -77.1 156.98 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.494 ' N ' HG12 ' A' ' 52' ' ' VAL . 34.7 p -107.94 -176.6 3.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.147 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.507 ' O ' ' ND2' ' A' ' 58' ' ' ASN . 9.8 t0 -92.37 -29.6 16.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.3 mttt -70.43 -37.38 74.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.686 ' O ' HD23 ' A' ' 62' ' ' LEU . 5.3 mm-40 -63.24 -60.5 3.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.844 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.675 ' CG1' HG22 ' A' ' 34' ' ' VAL . 20.3 m -55.1 -33.18 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.092 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 54' ' ' ASP . 26.4 m-20 -68.47 -39.44 81.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.488 ' HB3' ' CB ' ' A' ' 62' ' ' LEU . 4.2 m-20 -51.06 107.43 0.82 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.648 0.737 . . . . 0.0 110.915 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -29.7 23.59 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.67 2.246 . . . . 0.0 112.342 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.415 ' HG3' ' H ' ' A' ' 61' ' ' ARG . 3.0 ppt_? -100.6 26.65 6.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.686 HD23 ' O ' ' A' ' 56' ' ' GLU . 15.1 tp -110.36 134.52 52.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.633 HG13 ' HG3' ' A' ' 37' ' ' GLN . 81.1 t -96.45 102.03 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.502 ' CD2' HG11 ' A' ' 34' ' ' VAL . 62.8 t90 -91.01 132.43 36.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.948 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -121.66 148.43 44.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.914 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.466 ' O ' ' C ' ' A' ' 67' ' ' ALA . 30.7 p -98.74 142.05 30.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.876 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.466 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -32.2 -51.25 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.405 ' HB2' ' SG ' ' A' ' 66' ' ' CYS . 9.2 mmt180 -37.86 -50.03 1.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 21.5 p -89.0 -50.34 6.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 89.1 m . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 -179.98 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.878 0.37 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.428 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -114.06 138.95 49.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.062 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.485 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.3 p -63.51 -176.51 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.831 HG12 ' O ' ' A' ' 42' ' ' LEU . 1.3 p -105.9 -21.13 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.157 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.547 HG21 ' HB3' ' A' ' 47' ' ' CYS . 58.6 t -65.82 -75.24 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.116 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 16.9 p -90.6 -14.43 32.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.7 mtm-85 63.91 53.89 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.427 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 53.8 mm-40 -135.32 171.39 14.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -113.93 -9.59 13.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.0 m -52.43 118.23 3.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.9 m -135.12 -178.12 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.078 179.908 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.826 0.346 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.564 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 11.5 mt -105.83 161.24 14.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.946 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.595 HG22 HG23 ' A' ' 57' ' ' VAL . 16.1 t -140.28 155.35 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.406 ' N ' HG12 ' A' ' 34' ' ' VAL . 22.8 tt0 -126.12 130.69 51.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.415 ' SG ' ' N ' ' A' ' 37' ' ' GLN . 42.0 t -75.91 163.68 26.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.878 ' HG3' HG13 ' A' ' 63' ' ' VAL . 10.8 mm100 -102.72 -34.33 9.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -77.11 -62.36 1.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 m -82.3 -33.44 29.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.408 ' HA ' ' O ' ' A' ' 36' ' ' CYS . 12.8 m80 75.0 36.6 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -103.01 152.32 21.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.831 ' O ' HG12 ' A' ' 20' ' ' VAL . 71.5 mt -87.13 128.0 35.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.402 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 28.6 m-85 -134.66 117.55 16.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.564 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.4 m80 -60.67 128.37 36.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.539 ' OE1' HG12 ' A' ' 52' ' ' VAL . 15.0 mt-30 -38.89 -25.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 44' ' ' HIS . 14.7 t70 -96.82 -63.78 1.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.547 ' HB3' HG21 ' A' ' 21' ' ' VAL . 92.4 m -35.79 -40.28 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.8 t-80 -61.77 157.19 18.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.612 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 13.3 mmtp -61.24 -68.69 0.73 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.573 0.701 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.612 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.9 Cg_endo -69.76 109.05 2.22 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.714 2.276 . . . . 0.0 112.362 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -46.71 103.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.539 HG12 ' OE1' ' A' ' 45' ' ' GLN . 26.7 t -75.92 123.49 32.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.7 p -85.68 159.99 19.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 55' ' ' LYS . 5.6 t0 -60.33 -58.32 9.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 54' ' ' ASP . 10.8 tttt -32.96 -37.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.854 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 54' ' ' ASP . 4.2 mm-40 -77.64 -57.75 3.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.595 HG23 HG22 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -46.76 -33.26 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.14 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -68.17 -55.01 13.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -41.28 101.83 0.25 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.621 0.724 . . . . 0.0 110.881 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -32.27 18.93 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.699 2.266 . . . . 0.0 112.341 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.8 mtt85 -95.81 29.46 2.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.2 tp -105.07 125.46 51.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.878 HG13 ' HG3' ' A' ' 37' ' ' GLN . 96.2 t -83.31 100.96 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.503 ' CD2' HG11 ' A' ' 34' ' ' VAL . 16.5 t90 -87.61 147.28 25.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -135.3 144.38 46.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 67' ' ' ALA . 30.6 p -99.28 143.23 29.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -34.66 -47.94 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.414 ' HB2' ' SG ' ' A' ' 66' ' ' CYS . 11.3 mmt180 -39.86 -49.91 2.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 15.0 p -86.88 -47.22 9.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 50.8 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 -179.965 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -174.67 108.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.877 0.37 . . . . 0.0 110.89 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.8 p -104.12 130.76 51.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.25 142.09 9.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -114.75 155.56 26.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.881 0.372 . . . . 0.0 110.875 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -136.53 126.48 25.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.74 137.31 9.5 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -123.17 160.93 25.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.804 0.335 . . . . 0.0 111.1 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -97.63 175.87 6.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -115.96 123.48 48.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -159.27 166.55 31.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -39.69 -49.45 2.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.076 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 11.3 mmt -50.73 -40.48 54.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 15' ' ' MET . 8.8 tp10 -55.92 -53.7 53.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 14' ' ' GLU . 1.8 mpt? -35.88 -47.37 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.37 38.71 38.03 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.464 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.602 ' O ' HD12 ' A' ' 17' ' ' LEU . 4.6 pp -112.24 19.77 17.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 110.92 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.438 ' HB2' ' HG3' ' A' ' 25' ' ' MET . . . -101.36 149.89 23.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.481 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.7 p -62.43 -179.32 0.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.769 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -104.09 -17.48 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.606 HG21 ' HB3' ' A' ' 47' ' ' CYS . 95.3 t -69.54 -75.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.092 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.1 p -91.71 -12.25 34.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.1 mtp180 62.46 54.79 2.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 -132.44 175.07 9.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.438 ' HG3' ' HB2' ' A' ' 18' ' ' ALA . 2.5 mpp? -118.14 -11.96 10.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.0 m -51.2 122.68 8.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.6 m -137.69 165.89 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.1 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -174.69 168.97 3.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.5 m -43.24 101.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.43 -41.31 2.18 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.523 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -94.02 44.88 1.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.815 0.341 . . . . 0.0 110.896 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -79.18 -174.68 4.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.566 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 12.7 mt -109.16 156.52 19.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.492 HG22 HG12 ' A' ' 57' ' ' VAL . 4.7 t -137.47 151.82 26.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.059 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -120.98 126.42 49.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 23.1 t -71.31 161.9 30.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.521 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 25.8 mm-40 -98.78 -26.65 14.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.78 -70.57 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.9 p -73.08 -22.79 60.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 62.66 34.39 14.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -100.21 151.24 21.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.769 ' O ' HG12 ' A' ' 20' ' ' VAL . 55.7 mt -85.1 129.87 34.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -134.14 114.4 13.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.566 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.6 m80 -60.01 124.39 20.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.852 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.517 ' OE1' HG12 ' A' ' 52' ' ' VAL . 12.1 mt-30 -35.58 -30.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 44' ' ' HIS . 39.6 t0 -90.23 -64.85 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.606 ' HB3' HG21 ' A' ' 21' ' ' VAL . 86.2 m -36.38 -39.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -63.55 155.02 30.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.608 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 2.5 mtpt -60.44 -68.43 0.78 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.602 0.715 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.608 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.3 Cg_endo -69.81 107.6 1.9 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.717 2.278 . . . . 0.0 112.322 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -46.6 101.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.517 HG12 ' OE1' ' A' ' 45' ' ' GLN . 19.5 t -74.26 134.54 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.404 ' O ' ' OE1' ' A' ' 45' ' ' GLN . 35.1 p -89.89 158.79 17.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.502 ' O ' HG22 ' A' ' 57' ' ' VAL . 11.1 t0 -63.9 -35.54 80.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.849 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -64.79 -39.55 93.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.561 ' O ' HD23 ' A' ' 62' ' ' LEU . 22.7 mt-10 -59.22 -54.52 45.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 54' ' ' ASP . 23.0 m -56.74 -37.74 54.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 -65.3 -47.43 76.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -42.04 102.31 0.27 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.641 0.734 . . . . 0.0 110.83 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -27.79 25.86 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.666 2.244 . . . . 0.0 112.351 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -100.18 25.65 7.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.561 HD23 ' O ' ' A' ' 56' ' ' GLU . 17.9 tp -106.47 137.06 45.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.965 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.587 ' O ' HG13 ' A' ' 63' ' ' VAL . 7.7 p -99.19 101.81 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 12.4 t90 -89.24 133.12 34.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.521 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 10.1 m-85 -134.02 117.8 17.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.2 p -65.57 144.17 57.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -39.32 -56.19 1.59 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.069 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 67' ' ' ALA . 13.3 mmt180 -35.1 -38.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 88.7 m -88.29 -50.78 6.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 34.2 m -45.79 -42.67 12.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -71.03 -36.01 72.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.831 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -70.19 -64.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.478 ' HE1' ' CD2' ' A' ' 65' ' ' TYR . 7.2 mtt -38.92 -37.06 0.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -68.87 94.83 0.65 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 48.2 ptt85 -106.01 -43.26 4.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.8 mmt -50.67 -19.85 1.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 78' ' ' GLN . . . 42.63 52.65 4.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.078 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 77' ' ' ALA . 21.2 pt20 34.4 38.36 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -112.08 177.85 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -51.02 134.19 26.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -92.35 117.86 30.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.02 -53.1 7.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.1 t -150.32 146.01 26.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.796 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 158.96 121.64 0.63 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 118.8 5.9 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.728 2.285 . . . . 0.0 112.371 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.8 t -74.61 124.25 26.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.8 t -127.56 161.71 28.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.152 -0.804 . . . . 0.0 112.487 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 1' ' ' GLY . 75.3 p 35.56 42.26 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.37 . . . . 0.0 110.831 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.2 p -109.21 102.22 11.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.856 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.03 -179.17 47.29 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.481 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.0 t -163.2 160.67 24.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.86 0.362 . . . . 0.0 110.817 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 m -128.72 168.68 15.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.01 -162.91 54.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -135.78 171.75 14.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.806 0.336 . . . . 0.0 111.107 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -157.98 126.59 5.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -41.03 147.65 0.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.828 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.413 ' O ' ' C ' ' A' ' 12' ' ' ALA . 3.1 t80 -156.28 150.91 25.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 13' ' ' MET . . . -36.89 -45.9 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 12' ' ' ALA . 4.4 mtt -35.86 -45.69 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -40.78 -61.46 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.419 ' HB3' HD23 ' A' ' 17' ' ' LEU . 31.5 mmt -65.88 -39.85 91.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 64.37 45.39 93.48 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.524 ' O ' HD12 ' A' ' 17' ' ' LEU . 4.6 pp -116.7 16.73 15.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.818 0.342 . . . . 0.0 110.95 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.408 ' HB1' ' O ' ' A' ' 24' ' ' GLN . . . -90.08 151.13 21.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.08 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.494 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -64.67 -177.38 0.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.729 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -104.77 -18.96 6.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.645 HG21 ' HB3' ' A' ' 47' ' ' CYS . 86.0 t -67.42 -76.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.405 ' C ' ' HD2' ' A' ' 23' ' ' ARG . 21.0 p -92.24 -6.62 50.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.471 ' HD2' ' N ' ' A' ' 23' ' ' ARG . 2.4 mpt_? 56.12 55.05 7.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.408 ' O ' ' HB1' ' A' ' 18' ' ' ALA . 16.3 mt-30 -134.98 -179.49 5.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 37.9 mtm -122.95 -8.93 8.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.2 m -53.15 118.25 3.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.9 m -132.18 -176.14 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.081 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 30' ' ' GLY . . . -160.96 148.49 15.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.08 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 28' ' ' ALA . 31.0 t -34.83 -32.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 28' ' ' ALA . . . -100.27 -41.03 2.88 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.473 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 59.6 m-80 -99.27 88.8 4.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 110.85 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.581 ' H ' ' NE2' ' A' ' 45' ' ' GLN . 14.5 mm100 -100.54 -174.75 2.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.577 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 4.9 mt -103.61 152.81 21.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.566 HG11 ' CD2' ' A' ' 64' ' ' TRP . 21.2 t -128.53 158.1 40.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.468 ' N ' HG12 ' A' ' 34' ' ' VAL . 49.2 tt0 -128.66 130.46 47.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.9 t -75.61 162.32 28.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.595 ' HG3' HG23 ' A' ' 63' ' ' VAL . 5.6 mm-40 -98.89 -29.15 13.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -86.52 -70.05 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.6 p -72.93 -24.02 60.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 62.48 36.35 14.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.827 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -102.48 145.46 29.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.729 ' O ' HG12 ' A' ' 20' ' ' VAL . 42.4 mt -80.05 129.92 34.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -133.48 114.62 13.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.914 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.577 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.9 m80 -58.68 123.63 17.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.807 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.581 ' NE2' ' H ' ' A' ' 32' ' ' GLN . 27.2 mt-30 -34.98 -31.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 44' ' ' HIS . 14.3 t70 -89.45 -63.55 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.645 ' HB3' HG21 ' A' ' 21' ' ' VAL . 79.8 m -36.07 -42.65 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -60.04 156.56 14.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.603 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 21.6 mtmt -60.54 -68.88 0.66 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.538 0.685 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.603 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 54.0 Cg_endo -69.75 111.0 2.69 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.714 2.276 . . . . 0.0 112.38 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -47.1 102.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.493 HG11 HG21 ' A' ' 34' ' ' VAL . 22.2 t -79.18 133.29 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 74.4 p -105.11 165.6 10.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 55' ' ' LYS . 11.0 m-20 -57.66 -53.54 57.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.456 ' N ' ' HD3' ' A' ' 55' ' ' LYS . 6.9 mmtt -33.73 -44.08 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -64.11 -74.03 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.519 ' CG1' HG22 ' A' ' 34' ' ' VAL . 5.2 m -42.14 -35.24 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.113 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 38.8 m-20 -63.7 -46.81 83.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -56.47 109.2 1.53 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.624 0.726 . . . . 0.0 110.839 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -41.47 4.24 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.66 2.24 . . . . 0.0 112.396 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -86.9 30.17 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.5 tp -108.17 130.99 55.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.659 ' O ' HG13 ' A' ' 63' ' ' VAL . 10.0 p -95.97 103.15 14.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.566 ' CD2' HG11 ' A' ' 34' ' ' VAL . 27.2 t90 -89.13 131.37 35.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -128.03 126.53 41.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 67' ' ' ALA . 15.8 p -77.6 142.4 38.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -36.62 -55.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 67' ' ' ALA . 19.7 mmt-85 -34.36 -43.11 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 88.4 m -83.39 -48.31 10.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.9 m -47.09 -40.08 14.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -74.88 -34.35 62.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -63.98 -66.45 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 9.5 mtt -42.64 -33.98 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -65.86 -43.56 88.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.466 ' NH1' ' HB3' ' A' ' 75' ' ' ARG . 8.7 mtp-105 -53.39 -48.29 68.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.411 ' C ' ' O ' ' A' ' 75' ' ' ARG . 2.3 tpt 37.5 36.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.98 43.55 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.139 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -118.74 159.75 23.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.4 tttp -74.02 104.68 4.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -45.04 144.33 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -149.35 152.96 36.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -74.34 86.64 1.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.9 t -122.62 -59.13 1.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 121.7 84.09 0.73 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.452 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 157.61 59.75 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.685 2.257 . . . . 0.0 112.335 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.6 m -63.17 175.78 0.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 59.8 p -89.36 -43.44 10.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.083 -0.843 . . . . 0.0 112.506 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.9 m -79.25 105.5 10.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.377 . . . . 0.0 110.856 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.7 p -65.65 106.82 1.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.26 -62.24 1.86 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.48 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.7 m -61.8 124.86 21.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.847 0.356 . . . . 0.0 110.864 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.2 m -82.91 142.3 31.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.02 176.03 7.72 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -128.68 176.46 7.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 111.095 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.424 ' HA ' ' CD ' ' A' ' 14' ' ' GLU . 8.9 m-20 -162.88 147.69 11.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.2 t0 59.37 46.34 12.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.444 ' O ' ' C ' ' A' ' 12' ' ' ALA . 6.8 t80 -152.07 163.31 39.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.445 ' HB1' ' SD ' ' A' ' 25' ' ' MET . . . -34.29 -59.4 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.093 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -34.37 -58.44 0.48 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 15' ' ' MET . 4.4 mm-40 -56.18 -63.09 1.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.448 ' C ' ' O ' ' A' ' 14' ' ' GLU . 6.1 mmt -34.33 -43.94 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 69.81 50.84 27.68 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.43 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.411 ' CD2' ' HB3' ' A' ' 15' ' ' MET . 0.3 OUTLIER -97.94 22.38 9.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.756 0.313 . . . . 0.0 110.899 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' A' ' 24' ' ' GLN . . . -103.92 142.96 33.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.479 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.4 p -58.91 -179.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.787 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -103.86 -15.61 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 179.861 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.605 HG21 ' HB3' ' A' ' 47' ' ' CYS . 99.8 t -70.79 -75.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.104 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.3 p -90.83 -14.14 32.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.6 mtp85 64.05 54.9 1.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.404 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 37.3 mt-30 -134.87 172.76 12.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.445 ' SD ' ' HB1' ' A' ' 12' ' ' ALA . 9.5 mtm -114.94 -7.16 12.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 99.7 m -54.63 129.41 36.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.8 m -144.94 175.49 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.175 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.53 164.76 37.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.5 m -39.04 -33.95 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -109.39 -40.97 1.42 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.526 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -86.89 74.87 9.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.34 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -97.82 -174.52 2.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.579 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 9.7 mt -105.72 166.35 10.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.524 HG22 ' CG1' ' A' ' 57' ' ' VAL . 14.5 t -145.55 149.24 16.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -119.97 126.62 51.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 35.9 t -71.58 162.86 28.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.619 ' HG3' HG23 ' A' ' 63' ' ' VAL . 1.8 mm100 -99.07 -28.85 13.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -87.6 -70.28 0.64 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.5 p -73.03 -22.0 60.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 61.63 31.43 18.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -97.33 148.94 22.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.787 ' O ' HG12 ' A' ' 20' ' ' VAL . 72.2 mt -84.21 129.57 34.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -134.4 114.4 12.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.579 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.5 m80 -59.27 124.37 19.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 44' ' ' HIS . 16.2 mt-30 -34.92 -31.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 44' ' ' HIS . 24.9 t70 -89.98 -65.28 1.03 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.605 ' HB3' HG21 ' A' ' 21' ' ' VAL . 92.8 m -35.05 -39.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.419 ' O ' ' O ' ' A' ' 46' ' ' ASP . 2.1 t-80 -63.24 153.7 33.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.604 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 10.3 mptt -58.61 -68.37 0.72 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.634 0.73 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.604 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.9 Cg_endo -69.73 112.19 3.01 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.672 2.248 . . . . 0.0 112.366 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -49.62 100.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.401 HG13 ' OE1' ' A' ' 56' ' ' GLU . 33.1 t -77.8 130.53 36.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.9 p -96.4 163.09 13.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.435 ' HA ' HG22 ' A' ' 57' ' ' VAL . 2.9 m-20 -63.2 -48.5 78.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -42.41 -25.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.659 ' O ' HD22 ' A' ' 62' ' ' LEU . 38.2 mt-10 -81.81 -69.9 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.524 ' CG1' HG22 ' A' ' 34' ' ' VAL . 19.0 m -50.8 -27.05 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.181 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -65.02 -38.41 90.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 62' ' ' LEU . 8.6 t70 -61.57 117.86 31.89 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.628 0.728 . . . . 0.0 110.823 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -37.15 9.77 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -101.81 38.2 1.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.659 HD22 ' O ' ' A' ' 56' ' ' GLU . 1.9 tp -106.79 123.31 47.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.619 HG23 ' HG3' ' A' ' 37' ' ' GLN . 11.0 p -85.72 109.47 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.428 ' CD2' HG11 ' A' ' 34' ' ' VAL . 28.2 t90 -99.87 129.42 45.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -124.43 120.08 31.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 67' ' ' ALA . 15.9 p -74.64 141.22 44.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.482 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -33.54 -59.57 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.482 ' C ' ' O ' ' A' ' 67' ' ' ALA . 15.5 mmt180 -30.68 -45.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 83.9 m -83.86 -49.56 8.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.2 m -45.51 -41.51 9.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -63.03 -36.64 84.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -73.21 -64.58 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 31.4 mtt -36.93 -38.24 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -97.1 132.08 43.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -132.69 -42.59 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.1 mmt -87.16 30.64 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -112.9 35.03 4.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.084 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -147.49 169.01 20.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -88.22 130.69 35.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -49.69 165.18 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.456 ' O ' ' C ' ' A' ' 82' ' ' LYS . 6.8 tt0 -115.38 159.61 20.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 81' ' ' GLN . 13.0 tptp -33.96 128.88 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 t -122.17 147.15 46.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.442 ' N ' ' HD2' ' A' ' 85' ' ' PRO . . . -55.9 -61.85 6.98 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.442 ' HD2' ' N ' ' A' ' 84' ' ' GLY . 54.0 Cg_endo -69.74 4.21 2.32 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.719 2.279 . . . . 0.0 112.347 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 54.0 p -56.82 107.75 0.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.8 t -94.62 127.42 40.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.843 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.537 -179.972 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t -41.95 -47.8 4.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.885 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.6 p -61.32 153.32 26.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.46 153.21 29.34 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.52 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.3 p -99.87 41.75 1.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 0.0 110.872 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -94.31 -56.21 2.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.23 -127.81 1.21 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 61.56 41.75 12.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.767 0.317 . . . . 0.0 111.091 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -129.53 90.85 3.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.76 127.67 56.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -154.12 135.4 14.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 13' ' ' MET . . . -38.87 -47.38 1.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.08 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.427 ' C ' ' O ' ' A' ' 12' ' ' ALA . 17.2 mmt -36.33 -50.18 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -40.45 -60.99 0.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 22.4 mtt -51.87 -58.19 7.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.408 ' O ' HD11 ' A' ' 42' ' ' LEU . . . 95.72 60.89 1.02 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.519 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.49 ' O ' ' CD1' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -123.74 24.17 8.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.796 0.331 . . . . 0.0 110.875 -179.885 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.661 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -124.0 144.97 49.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.468 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -69.55 -177.92 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.796 HG12 ' O ' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -104.73 -21.26 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.575 HG21 ' HB3' ' A' ' 47' ' ' CYS . 88.1 t -64.37 -75.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.432 ' C ' ' HD3' ' A' ' 23' ' ' ARG . 16.7 p -91.06 -6.07 54.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.432 ' HD3' ' C ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER 55.38 54.44 8.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -134.9 172.94 12.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.629 ' HG3' ' HB2' ' A' ' 18' ' ' ALA . 2.2 mpt? -114.21 -15.74 12.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.0 m -44.15 123.85 3.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.495 HG13 ' O ' ' A' ' 25' ' ' MET . 13.4 m -140.56 175.91 5.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.131 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.02 166.58 3.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.8 t -48.45 123.65 6.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.7 -37.68 3.28 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.481 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -108.15 72.31 0.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.756 0.312 . . . . 0.0 110.932 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.477 ' HB2' ' NE2' ' A' ' 45' ' ' GLN . 21.5 mt-30 -98.3 -174.93 2.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.575 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 10.1 mt -97.27 160.59 14.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.701 HG11 ' CD2' ' A' ' 64' ' ' TRP . 22.0 t -140.35 160.94 25.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.525 ' N ' HG12 ' A' ' 34' ' ' VAL . 49.5 tt0 -134.07 134.29 42.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 40' ' ' HIS . 42.8 t -79.08 163.24 25.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.978 ' HG3' HG23 ' A' ' 63' ' ' VAL . 8.7 mm100 -97.57 -35.85 10.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -80.49 -69.65 0.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.29 -26.75 63.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.489 ' CD2' ' O ' ' A' ' 37' ' ' GLN . 34.2 m-70 63.14 39.58 9.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -106.7 150.18 26.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.796 ' O ' HG12 ' A' ' 20' ' ' VAL . 52.8 mt -84.99 127.18 34.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.403 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 30.2 m-85 -132.98 116.62 16.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.575 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.7 m80 -59.67 129.22 40.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.889 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.477 ' NE2' ' HB2' ' A' ' 32' ' ' GLN . 63.2 mt-30 -39.66 -25.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 44' ' ' HIS . 0.6 OUTLIER -97.16 -64.74 1.01 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.575 ' HB3' HG21 ' A' ' 21' ' ' VAL . 95.3 m -36.62 -40.42 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.563 ' CE1' ' HA ' ' A' ' 66' ' ' CYS . 1.9 t-80 -62.6 157.13 21.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.594 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 4.1 mptp? -59.92 -68.09 0.85 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.521 0.676 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.594 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 54.0 Cg_endo -69.75 109.51 2.33 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.72 2.28 . . . . 0.0 112.34 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -50.02 101.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.7 t -82.82 136.54 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 46.1 p -98.25 169.02 9.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 55' ' ' LYS . 8.5 p-10 -71.66 -57.85 4.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 54' ' ' ASP . 10.8 ttmt -35.24 -36.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 54' ' ' ASP . 23.1 mm-40 -77.14 -60.56 2.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.407 HG23 HG22 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -45.96 -29.95 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 59' ' ' ASP . 50.2 m-20 -64.04 -54.78 28.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.458 ' HB3' ' CB ' ' A' ' 62' ' ' LEU . 11.2 t0 -36.44 111.03 0.48 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.586 0.708 . . . . 0.0 110.898 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 59' ' ' ASP . 54.2 Cg_endo -69.68 -37.93 8.68 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -94.18 32.3 1.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.458 ' CB ' ' HB3' ' A' ' 59' ' ' ASP . 4.9 tp -107.38 124.42 49.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.978 HG23 ' HG3' ' A' ' 37' ' ' GLN . 2.5 p -88.43 109.52 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.164 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.701 ' CD2' HG11 ' A' ' 34' ' ' VAL . 40.7 t90 -96.07 146.9 24.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.959 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.405 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 38.2 m-85 -134.22 155.43 50.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.563 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 22.7 p -105.7 138.04 42.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.491 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -30.45 -54.94 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 67' ' ' ALA . 2.5 mmp_? -33.7 -51.11 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 66' ' ' CYS . 26.2 p -88.11 -44.4 10.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.9 m -43.01 -48.26 5.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.47 ' HB2' ' CZ ' ' A' ' 71' ' ' ARG . 3.7 ptm85 -59.95 -36.26 76.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -69.09 -61.95 1.58 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 13.4 mtt -55.01 -38.93 68.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt -40.09 106.62 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -59.61 -62.63 1.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 10.7 mtp -42.82 -44.23 4.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -93.77 41.73 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.063 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -86.23 138.98 31.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 80' ' ' ASN . 2.2 tmmm? -149.93 148.15 28.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.468 ' N ' ' HD2' ' A' ' 79' ' ' LYS . 27.9 t30 -82.22 121.1 26.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.55 159.13 5.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 29.8 tttm -53.05 128.79 28.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.4 m -120.49 149.34 42.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -145.57 84.48 0.19 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.537 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 147.04 62.53 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.67 2.247 . . . . 0.0 112.338 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.3 t -116.43 93.14 4.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.9 p -40.54 -43.67 1.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 CA-C-O 119.125 -0.82 . . . . 0.0 112.479 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 1' ' ' GLY . 73.0 m 37.2 42.11 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.867 0.365 . . . . 0.0 110.856 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.6 p -53.4 152.25 4.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.84 -175.48 15.73 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -134.91 126.42 28.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 0.0 110.877 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -165.81 162.88 18.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.06 -128.77 8.72 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.486 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 60.77 37.3 18.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.826 0.346 . . . . 0.0 111.142 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -125.35 38.77 4.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.55 126.94 36.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.21 -71.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 14' ' ' GLU . . . -103.79 -46.97 4.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.083 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.427 ' C ' ' O ' ' A' ' 12' ' ' ALA . 10.3 mtm -36.32 -31.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 12' ' ' ALA . 6.7 tp10 -70.91 -61.15 1.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.459 ' HB2' ' CD2' ' A' ' 17' ' ' LEU . 34.0 mtp -34.41 -40.49 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.57 62.27 1.4 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.459 ' CD2' ' HB2' ' A' ' 15' ' ' MET . 0.5 OUTLIER -124.93 24.66 7.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.812 0.339 . . . . 0.0 110.917 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.611 ' HB2' ' HG3' ' A' ' 25' ' ' MET . . . -117.61 141.51 48.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.486 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.3 p -62.62 -178.62 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.844 HG12 ' O ' ' A' ' 42' ' ' LEU . 1.2 p -104.9 -21.44 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.582 HG21 ' HB3' ' A' ' 47' ' ' CYS . 82.3 t -64.16 -75.04 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.4 p -90.9 -11.2 39.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 61.31 52.26 3.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -133.06 172.96 11.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.611 ' HG3' ' HB2' ' A' ' 18' ' ' ALA . 1.8 mpt? -115.46 -10.71 11.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.7 m -50.4 122.32 6.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.123 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.0 m -137.86 -178.1 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -152.55 -175.5 5.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.7 p -66.57 -43.91 83.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.82 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.03 -32.18 8.06 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.508 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -104.18 95.56 6.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.33 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -108.67 -175.29 2.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.583 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 8.9 mt -98.69 170.18 8.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.497 HG11 ' CD2' ' A' ' 64' ' ' TRP . 14.0 t -151.32 154.36 8.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -126.84 127.63 45.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.6 t -70.33 163.24 27.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.649 ' HG3' HG13 ' A' ' 63' ' ' VAL . 10.3 mm100 -103.45 -32.65 9.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.956 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -78.62 -59.39 2.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.0 m -84.2 -32.27 24.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 13.4 m80 74.13 37.71 0.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -107.0 151.29 25.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.844 ' O ' HG12 ' A' ' 20' ' ' VAL . 93.6 mt -86.12 128.87 34.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.945 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.409 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 27.1 m-85 -134.52 116.13 14.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.583 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.4 m80 -60.34 125.62 24.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.826 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.466 ' HG2' ' CG1' ' A' ' 52' ' ' VAL . 88.5 mt-30 -35.84 -29.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 44' ' ' HIS . 3.4 t70 -91.63 -64.56 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.582 ' HB3' HG21 ' A' ' 21' ' ' VAL . 84.8 m -36.9 -38.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.494 ' CE1' ' HA ' ' A' ' 66' ' ' CYS . 1.8 t-80 -63.9 159.92 18.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.596 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 0.2 OUTLIER -63.95 -68.06 0.9 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.538 0.685 . . . . 0.0 110.909 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.596 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 54.0 Cg_endo -69.75 110.07 2.46 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.695 2.264 . . . . 0.0 112.36 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -48.45 103.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.466 ' CG1' ' HG2' ' A' ' 45' ' ' GLN . 86.4 t -76.56 128.7 37.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 58.7 p -94.36 166.61 11.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -65.11 -57.64 8.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 54' ' ' ASP . 3.4 ttmm -33.52 -38.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 54' ' ' ASP . 15.0 mt-10 -74.86 -61.61 1.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.438 ' HB ' ' NE2' ' A' ' 45' ' ' GLN . 0.3 OUTLIER -44.35 -32.52 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -62.6 -55.7 24.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.456 ' HB3' ' CB ' ' A' ' 62' ' ' LEU . 6.7 t70 -41.86 102.67 0.27 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.596 0.712 . . . . 0.0 110.856 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -30.73 21.74 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.679 2.253 . . . . 0.0 112.366 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -100.4 29.27 4.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.456 ' CB ' ' HB3' ' A' ' 59' ' ' ASP . 12.9 tp -99.61 133.17 44.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.649 HG13 ' HG3' ' A' ' 37' ' ' GLN . 86.7 t -90.39 97.02 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.497 ' CD2' HG11 ' A' ' 34' ' ' VAL . 27.5 t90 -85.45 144.71 27.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.585 ' CE1' ' HE1' ' A' ' 73' ' ' MET . 19.2 m-85 -132.88 145.29 50.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.938 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.494 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 26.0 p -98.98 140.63 32.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.87 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.474 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -28.83 -56.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.073 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.465 ' HA ' ' CZ ' ' A' ' 71' ' ' ARG . 8.5 mmt180 -33.4 -53.24 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 72' ' ' GLN . 21.3 p -85.3 -49.9 7.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.2 m -38.63 -45.69 1.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.465 ' CZ ' ' HA ' ' A' ' 68' ' ' ARG . 5.9 mtm180 -64.9 -38.9 92.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 69' ' ' CYS . 21.0 mm-40 -68.97 -61.66 1.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.585 ' HE1' ' CE1' ' A' ' 65' ' ' TYR . 10.1 mtt -49.78 -38.43 34.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.3 mmtm -77.82 99.03 5.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 76' ' ' MET . 11.5 ptp180 -127.61 -40.61 1.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.423 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 31.5 ttp 47.08 43.41 14.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -133.27 73.96 1.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -85.01 138.83 32.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 33.5 tttm -61.9 144.33 55.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -51.88 121.3 6.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -145.92 162.35 37.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.42 ' C ' ' HD3' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -72.69 -39.18 67.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 89.0 p -38.17 123.93 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.844 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.05 -94.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.459 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 157.05 61.81 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.72 2.28 . . . . 0.0 112.346 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.9 t -172.19 129.61 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 35.3 p -104.13 120.41 41.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.46 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 t -102.2 83.22 2.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.91 0.386 . . . . 0.0 110.879 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -162.72 140.52 8.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.91 -128.46 1.55 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.512 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.8 p -162.19 162.4 28.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 0.0 110.862 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.5 m -125.36 121.58 34.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.17 -174.6 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -101.67 176.54 5.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.78 0.324 . . . . 0.0 111.128 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -152.88 143.86 22.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -38.47 147.84 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -155.37 163.48 40.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.59 -35.67 76.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.5 tpp -43.72 -40.15 4.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -93.24 -72.65 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 18.4 mtt -54.11 -62.68 1.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.81 40.1 27.01 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.469 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.766 ' O ' HD13 ' A' ' 33' ' ' LEU . 4.6 pp -116.75 19.42 14.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.814 0.34 . . . . 0.0 110.926 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.416 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -86.27 146.45 26.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.075 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.489 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -66.38 -174.4 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.775 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.7 OUTLIER -108.77 -18.58 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.149 179.93 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.526 HG21 ' HB3' ' A' ' 47' ' ' CYS . 90.1 t -68.72 -75.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.4 p -89.45 -15.33 33.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 66.08 50.27 1.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -129.09 171.75 12.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.483 ' HB3' HD11 ' A' ' 17' ' ' LEU . 66.0 mtm -118.32 -4.27 10.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.1 m -59.32 121.37 11.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.8 m -132.66 -179.3 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -154.07 172.62 17.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.8 p -47.66 -49.59 27.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.818 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -97.45 -35.6 5.15 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.493 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -89.58 82.25 6.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.328 . . . . 0.0 110.917 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -103.48 -176.22 3.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.766 HD13 ' O ' ' A' ' 17' ' ' LEU . 6.5 mt -100.88 158.18 16.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.406 HG11 ' CD2' ' A' ' 64' ' ' TRP . 3.1 t -130.66 155.9 42.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -128.81 119.83 25.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 24.9 t -65.17 161.31 19.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.543 ' N ' ' CD ' ' A' ' 37' ' ' GLN . 4.7 mm-40 -99.5 -26.92 13.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -87.23 -69.13 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.5 p -74.36 -21.64 59.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 62.42 32.82 16.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -97.23 150.1 21.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.775 ' O ' HG12 ' A' ' 20' ' ' VAL . 68.4 mt -87.69 126.64 35.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -131.75 121.65 24.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.582 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.0 m80 -64.31 128.54 36.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.883 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -38.81 -25.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.95 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 44' ' ' HIS . 29.8 t70 -96.55 -62.9 1.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.526 ' HB3' HG21 ' A' ' 21' ' ' VAL . 87.6 m -36.14 -40.92 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -60.9 155.3 20.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.611 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 13.5 mtmm -59.52 -69.07 0.59 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.596 0.712 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.611 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.7 Cg_endo -69.76 112.77 3.17 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -47.85 103.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 36.7 t -77.69 131.43 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.3 p -85.36 -176.18 6.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.159 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.507 ' O ' ' ND2' ' A' ' 58' ' ' ASN . 19.6 m-20 -89.06 -32.01 17.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -70.12 -38.25 75.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.565 ' O ' HD23 ' A' ' 62' ' ' LEU . 6.1 mm-40 -58.68 -61.04 2.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.0 m -56.74 -34.0 42.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 54' ' ' ASP . 1.9 m-80 -63.56 -57.96 8.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.429 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 3.7 t70 -41.2 101.85 0.25 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.55 0.69 . . . . 0.0 110.89 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 59' ' ' ASP . 53.7 Cg_endo -69.76 -10.66 29.1 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.675 2.25 . . . . 0.0 112.318 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.29 5.75 40.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.857 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.565 HD23 ' O ' ' A' ' 56' ' ' GLU . 16.1 tp -97.19 138.83 34.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.553 ' CG2' ' CE2' ' A' ' 65' ' ' TYR . 1.9 p -100.37 107.56 21.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.406 ' CD2' HG11 ' A' ' 34' ' ' VAL . 7.6 t90 -87.04 133.26 33.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.553 ' CE2' ' CG2' ' A' ' 63' ' ' VAL . 13.6 m-85 -133.54 115.11 14.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 18.2 p -65.51 148.09 52.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.459 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -38.6 -56.81 1.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.459 ' C ' ' O ' ' A' ' 67' ' ' ALA . 6.0 mmt180 -33.45 -41.81 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 85.8 m -87.76 -47.73 8.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.0 m -45.95 -44.86 15.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -59.83 -34.9 73.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -72.33 -62.46 1.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 12.0 mtt -49.13 -40.47 32.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 41.3 mttt -46.76 163.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.49 ' O ' ' N ' ' A' ' 77' ' ' ALA . 24.3 ptt180 -67.38 -47.48 70.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 40.5 ttm -39.03 -26.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . -119.95 67.68 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -92.01 114.93 27.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.3 mttp -165.01 165.11 20.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -46.52 102.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.849 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -126.26 145.72 50.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 35.3 tttm -86.94 82.95 7.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.8 t -171.16 127.39 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -89.24 -150.58 22.82 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.46 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 147.72 63.5 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.656 2.238 . . . . 0.0 112.364 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.5 m -99.85 172.37 7.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 54.8 p -121.69 177.38 5.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.486 -179.94 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -98.77 132.56 44.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.924 0.392 . . . . 0.0 110.851 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.0 p -171.92 147.29 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.37 99.8 0.17 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.456 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.4 m -80.94 135.03 35.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.931 0.396 . . . . 0.0 110.862 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -84.86 88.87 7.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.8 137.17 2.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.553 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -172.97 174.04 3.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.761 0.315 . . . . 0.0 111.129 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -70.55 149.46 47.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -45.95 147.16 1.05 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -159.17 141.03 13.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 13' ' ' MET . . . -43.43 -41.4 4.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.436 ' O ' ' C ' ' A' ' 14' ' ' GLU . 2.0 tmm? -36.94 -47.0 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 13' ' ' MET . 5.6 mm-40 -35.17 -63.61 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.475 ' HB2' ' CD2' ' A' ' 17' ' ' LEU . 83.9 mmm -91.96 -48.58 6.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.57 63.44 1.48 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.467 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.475 ' CD2' ' HB2' ' A' ' 15' ' ' MET . 0.2 OUTLIER -122.43 16.95 10.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.844 0.354 . . . . 0.0 110.952 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -103.81 149.7 24.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.082 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.477 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -64.27 -176.44 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.715 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -106.36 -18.43 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.12 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.522 HG21 ' HB3' ' A' ' 47' ' ' CYS . 68.3 t -68.51 -75.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.7 p -90.92 -13.17 34.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 63.05 53.33 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -130.51 175.93 8.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.5 mtm -123.33 0.47 8.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.0 m -63.52 120.83 12.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.15 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.2 m -135.54 168.96 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -174.31 172.92 3.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.087 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.2 t -52.12 117.23 2.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.2 -25.95 17.67 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.49 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -120.93 69.83 0.9 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -97.29 -175.48 3.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.58 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 11.2 mt -103.55 155.28 18.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.543 HG11 ' CD2' ' A' ' 64' ' ' TRP . 10.6 t -133.0 159.66 43.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.459 ' N ' HG12 ' A' ' 34' ' ' VAL . 8.7 tt0 -129.79 125.65 36.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 44.6 t -72.06 159.95 33.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.426 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 21.3 mm-40 -98.34 -28.25 13.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -86.55 -70.51 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.2 p -71.91 -22.94 61.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 62.65 36.18 13.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -103.69 150.33 24.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.715 ' O ' HG12 ' A' ' 20' ' ' VAL . 25.0 mt -84.52 128.6 34.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.976 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.431 ' CE1' HG11 ' A' ' 20' ' ' VAL . 23.6 m-85 -131.91 118.8 20.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.58 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.5 m80 -64.58 123.59 19.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.883 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 44' ' ' HIS . 91.4 mt-30 -35.38 -30.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.512 ' N ' ' O ' ' A' ' 44' ' ' HIS . 38.0 t70 -89.9 -62.54 1.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.522 ' HB3' HG21 ' A' ' 21' ' ' VAL . 90.7 m -38.94 -38.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.488 ' CE1' ' HA ' ' A' ' 66' ' ' CYS . 1.8 t-160 -64.49 166.77 7.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.566 ' HG3' ' N ' ' A' ' 50' ' ' PRO . 1.2 tppt? -72.82 -63.25 1.14 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.591 0.71 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.566 ' N ' ' HG3' ' A' ' 49' ' ' LYS . 54.3 Cg_endo -69.75 106.85 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.707 2.272 . . . . 0.0 112.342 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -46.0 98.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 50' ' ' PRO . 38.5 t -83.55 143.46 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 67.9 p -113.75 175.7 5.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.448 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 0.5 OUTLIER -69.77 -54.73 12.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.847 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.5 tttm -39.04 -30.24 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 54' ' ' ASP . 10.5 mm-40 -72.75 -72.4 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.425 ' CG1' HG22 ' A' ' 34' ' ' VAL . 15.1 m -47.46 -29.19 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -61.67 -43.24 99.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.402 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 5.6 t70 -62.74 110.69 3.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.57 0.7 . . . . 0.0 110.871 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 59' ' ' ASP . 54.1 Cg_endo -69.77 -38.12 8.21 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.667 2.244 . . . . 0.0 112.367 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 76.2 mtm-85 -85.35 27.77 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 tp -105.22 142.8 34.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.524 ' CG1' ' CE2' ' A' ' 65' ' ' TYR . 92.9 t -107.2 106.74 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.543 ' CD2' HG11 ' A' ' 34' ' ' VAL . 10.0 t90 -96.37 133.88 40.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.524 ' CE2' ' CG1' ' A' ' 63' ' ' VAL . 20.2 m-85 -133.36 118.11 18.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.488 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 14.7 p -69.02 139.8 54.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.489 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -33.61 -59.34 0.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.489 ' C ' ' O ' ' A' ' 67' ' ' ALA . 2.5 mmm180 -30.25 -46.85 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.831 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 84.3 m -81.47 -49.21 10.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.1 m -45.56 -45.83 13.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.132 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -57.75 -29.74 65.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -76.27 -56.58 4.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.94 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.452 ' O ' ' C ' ' A' ' 74' ' ' LYS . 21.2 mtt -49.63 -37.12 26.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 73' ' ' MET . 41.1 mmtt -34.15 149.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.407 ' O ' ' NE2' ' A' ' 78' ' ' GLN . 18.2 ptt180 -71.77 -40.67 69.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -85.34 29.83 0.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -114.7 42.89 2.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.407 ' NE2' ' O ' ' A' ' 75' ' ' ARG . 0.4 OUTLIER -143.5 142.21 31.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.95 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -115.54 40.86 2.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -156.87 168.09 28.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -63.73 171.21 2.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.06 165.37 26.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.9 t -96.3 175.73 6.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -58.33 -70.03 1.1 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 124.16 10.82 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.72 2.28 . . . . 0.0 112.376 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 t -99.72 141.51 32.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.817 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.6 t -62.21 125.41 23.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.914 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.457 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.5 m -79.15 141.81 36.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 110.86 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -97.59 -47.56 5.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.51 50.71 0.86 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.448 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.8 p -55.14 171.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.931 0.396 . . . . 0.0 110.815 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -78.72 -55.96 4.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.816 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.48 -103.09 0.41 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.458 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -162.76 167.55 22.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.78 0.324 . . . . 0.0 111.097 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -72.81 142.81 48.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -54.83 118.03 3.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.431 ' CG ' ' N ' ' A' ' 12' ' ' ALA . 54.0 t80 -154.38 171.2 19.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.431 ' N ' ' CG ' ' A' ' 11' ' ' PHE . . . -36.68 -44.75 0.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.105 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.6 tpt -45.18 -54.21 7.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 15' ' ' MET . 13.7 tt0 -69.03 -47.65 64.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.49 ' HB2' ' CD2' ' A' ' 17' ' ' LEU . 17.4 mmt -34.89 -46.43 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.867 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.83 68.51 1.43 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.66 ' O ' HD13 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -125.87 22.74 7.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 0.0 110.925 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.514 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -109.82 145.02 37.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.133 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.474 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.3 p -64.38 -179.17 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.787 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -105.74 -16.52 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.566 HG21 ' HB3' ' A' ' 47' ' ' CYS . 87.3 t -68.69 -75.17 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.9 p -90.49 -11.57 39.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 62.73 53.31 2.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -131.33 168.29 17.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.402 ' CG ' ' HB2' ' A' ' 18' ' ' ALA . 15.3 mtm -112.05 -18.59 12.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.424 ' O ' ' NE2' ' A' ' 44' ' ' HIS . 15.1 t -50.74 147.69 4.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.155 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.7 m -153.81 -175.15 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 29' ' ' SER . . . -146.03 146.41 30.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.035 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 28' ' ' ALA . 8.2 t -36.29 -37.07 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.56 -54.7 1.64 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.514 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -88.25 101.86 14.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.777 0.322 . . . . 0.0 110.924 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -108.36 -174.34 2.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.66 HD13 ' O ' ' A' ' 17' ' ' LEU . 6.8 mt -95.36 159.24 15.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.632 HG11 ' CD2' ' A' ' 64' ' ' TRP . 39.9 t -138.1 156.2 30.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.455 ' N ' HG12 ' A' ' 34' ' ' VAL . 10.9 tt0 -128.29 131.3 48.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 40' ' ' HIS . 48.6 t -75.92 163.5 27.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.705 ' HG3' HG13 ' A' ' 63' ' ' VAL . 9.0 mm100 -99.58 -35.27 9.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.425 ' OE1' ' C ' ' A' ' 38' ' ' GLU . 1.8 tm-20 -80.34 -66.95 0.82 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 m -74.18 -25.44 59.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.475 ' CD2' ' O ' ' A' ' 37' ' ' GLN . 33.6 m-70 62.88 38.07 11.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -106.22 149.62 26.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.787 ' O ' HG12 ' A' ' 20' ' ' VAL . 76.2 mt -85.47 128.38 34.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.402 ' CD1' ' HD2' ' A' ' 48' ' ' HIS . 28.8 m-85 -133.8 113.53 12.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.59 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.3 m80 -56.63 126.2 25.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.821 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.552 ' NE2' HG21 ' A' ' 57' ' ' VAL . 18.5 mt-30 -36.49 -29.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 44' ' ' HIS . 1.8 t0 -92.7 -65.43 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.566 ' HB3' HG21 ' A' ' 21' ' ' VAL . 90.9 m -35.15 -39.2 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.409 ' CE1' ' HA ' ' A' ' 66' ' ' CYS . 1.8 t-80 -61.03 158.24 13.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.592 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 0.8 OUTLIER -63.38 -68.06 0.91 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.572 0.701 . . . . 0.0 110.929 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.592 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.9 Cg_endo -69.8 111.3 2.78 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.368 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -47.0 101.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.442 ' C ' ' OE1' ' A' ' 45' ' ' GLN . 50.7 t -76.31 147.99 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.423 ' C ' ' OE1' ' A' ' 45' ' ' GLN . 38.4 p -106.05 172.89 6.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 56' ' ' GLU . 0.6 OUTLIER -73.53 -55.66 6.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -34.71 -34.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.46 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 8.1 mt-10 -68.91 -66.85 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.552 HG21 ' NE2' ' A' ' 45' ' ' GLN . 1.4 t -40.83 -40.82 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -63.42 -56.41 16.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.413 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 4.6 m-20 -40.02 101.08 0.23 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.621 0.724 . . . . 0.0 110.854 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 59' ' ' ASP . 53.7 Cg_endo -69.76 -28.6 25.03 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.634 2.223 . . . . 0.0 112.378 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -101.35 28.25 5.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.6 tp -104.67 136.48 44.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.705 HG13 ' HG3' ' A' ' 37' ' ' GLN . 84.0 t -98.94 101.7 12.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.632 ' CD2' HG11 ' A' ' 34' ' ' VAL . 38.0 t90 -88.56 146.62 25.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.451 ' CG ' ' HE3' ' A' ' 73' ' ' MET . 20.4 m-85 -135.81 146.73 47.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.459 ' O ' ' C ' ' A' ' 67' ' ' ALA . 28.5 p -97.68 142.23 29.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -32.25 -53.06 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 67' ' ' ALA . 9.0 mmt-85 -36.4 -49.61 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 72' ' ' GLN . 24.8 p -89.85 -49.12 6.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 29.5 m -40.4 -43.21 1.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.183 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -65.16 -36.56 84.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 69' ' ' CYS . 42.0 mt-30 -66.94 -63.23 1.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.451 ' HE3' ' CG ' ' A' ' 65' ' ' TYR . 19.6 mtt -45.38 -32.76 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -66.8 -44.82 80.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -69.39 -40.0 77.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 45.8 mtm 65.51 43.28 3.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.33 42.24 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -86.46 167.0 15.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.52 148.99 44.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 38.5 p-10 -102.87 102.71 12.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -49.32 117.42 2.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -86.2 -57.31 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.4 t -172.19 156.06 3.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.408 ' HA2' ' HD2' ' A' ' 85' ' ' PRO . . . 97.66 96.98 1.96 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.408 ' HD2' ' HA2' ' A' ' 84' ' ' GLY . 53.2 Cg_endo -69.78 97.34 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.72 2.28 . . . . 0.0 112.334 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.1 t -126.15 133.56 51.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.0 t -53.76 96.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.114 -0.826 . . . . 0.0 112.545 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.1 t -109.83 90.31 3.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.383 . . . . 0.0 110.831 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 t -101.54 98.6 8.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.68 147.26 48.13 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.467 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.1 t -125.11 85.65 2.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.895 0.379 . . . . 0.0 110.87 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t -128.56 109.62 11.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.03 91.67 0.53 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -141.98 126.77 18.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.782 0.325 . . . . 0.0 111.108 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -82.29 46.63 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -125.61 92.66 3.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -152.86 -178.64 7.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.45 -38.11 55.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.077 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 20.9 mmt -48.43 -39.08 21.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -83.92 -72.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 7.7 mtt -74.42 -62.07 1.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.11 66.47 1.57 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.475 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.571 ' O ' HD13 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -120.87 23.89 10.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 0.0 110.905 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.528 ' HB2' ' CG ' ' A' ' 25' ' ' MET . . . -116.33 140.53 49.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.098 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.494 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.2 p -62.92 179.0 0.41 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.743 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -104.67 -13.6 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.646 HG21 ' HB3' ' A' ' 47' ' ' CYS . 82.2 t -72.11 -75.49 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.076 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.0 p -92.44 -10.35 38.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.9 mtp85 61.24 53.03 3.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -122.76 160.56 25.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.528 ' CG ' ' HB2' ' A' ' 18' ' ' ALA . 2.0 mtt -114.36 0.42 14.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.5 m -93.45 117.51 30.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.083 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.3 m -103.85 -173.94 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.438 ' O ' ' NE2' ' A' ' 32' ' ' GLN . . . -157.04 167.15 31.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.69 103.34 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.405 ' H ' ' NE2' ' A' ' 32' ' ' GLN . . . 102.22 -15.72 56.1 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.461 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.422 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 29.9 t30 -117.06 42.24 2.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 0.0 110.924 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.438 ' NE2' ' O ' ' A' ' 28' ' ' ALA . 1.3 mp0 -61.48 -176.09 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.589 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 6.8 mt -106.86 133.3 51.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.469 HG22 ' CG1' ' A' ' 57' ' ' VAL . 2.7 t -115.85 153.47 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.104 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -123.4 123.29 40.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 22.1 t -66.06 165.05 14.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.477 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 13.0 mm100 -103.7 -33.11 9.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.426 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 2.8 tm-20 -80.4 -63.83 1.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.7 p -80.84 -25.26 37.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 42.3 m80 67.54 30.25 6.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -97.27 145.82 25.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.743 ' O ' HG12 ' A' ' 20' ' ' VAL . 40.4 mt -81.99 130.56 35.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.401 ' CD1' ' HD2' ' A' ' 48' ' ' HIS . 27.5 m-85 -134.04 108.08 8.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.589 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.8 m80 -52.33 124.65 13.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.493 HE21 HG11 ' A' ' 57' ' ' VAL . 33.4 mt-30 -36.79 -28.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.517 ' N ' ' O ' ' A' ' 44' ' ' HIS . 5.4 t70 -92.27 -64.7 1.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.837 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.646 ' HB3' HG21 ' A' ' 21' ' ' VAL . 98.2 m -36.72 -38.85 0.18 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.401 ' HD2' ' CD1' ' A' ' 43' ' ' TYR . 1.8 t-80 -62.06 157.87 17.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.591 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 1.6 mmmp? -61.36 -68.29 0.84 Allowed Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.608 0.718 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.591 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 54.1 Cg_endo -69.68 110.93 2.66 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.68 2.253 . . . . 0.0 112.403 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -48.22 102.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 57.6 t -77.8 147.49 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 77.4 p -102.93 -177.62 3.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -86.89 -23.3 25.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.8 tptt -75.87 -33.91 60.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.634 ' O ' HD23 ' A' ' 62' ' ' LEU . 17.5 mt-10 -64.2 -54.65 30.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.493 HG11 HE21 ' A' ' 45' ' ' GLN . 34.9 m -58.47 -42.08 83.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.451 ' N ' HG23 ' A' ' 57' ' ' VAL . 2.5 m-80 -59.58 -49.74 76.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -43.96 104.04 0.36 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.585 0.707 . . . . 0.0 110.888 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -37.11 9.79 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.708 2.272 . . . . 0.0 112.35 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -88.2 26.32 1.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.634 HD23 ' O ' ' A' ' 56' ' ' GLU . 22.1 tp -109.6 142.67 40.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.598 ' O ' HG13 ' A' ' 63' ' ' VAL . 10.1 p -106.74 108.65 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -93.57 134.61 35.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.477 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 10.0 m-85 -135.01 117.0 15.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 67' ' ' ALA . 16.7 p -61.21 143.42 55.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.489 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -32.45 -62.24 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.083 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.489 ' C ' ' O ' ' A' ' 67' ' ' ALA . 18.7 mtt180 -31.15 -63.49 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 64.4 m -63.22 -44.48 95.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 86.9 m -48.87 -46.11 42.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.164 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 72' ' ' GLN . 17.4 ptt180 -74.25 -29.47 61.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.435 ' N ' ' HG3' ' A' ' 71' ' ' ARG . 13.0 mm100 -67.69 -63.54 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 20.0 mtm -51.59 -38.5 54.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -76.22 112.47 12.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -106.32 -49.08 3.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.419 ' O ' ' C ' ' A' ' 77' ' ' ALA . 3.2 mtt -44.39 -24.3 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 79' ' ' LYS . . . 36.33 45.81 0.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -61.68 75.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 77' ' ' ALA . 0.5 OUTLIER -118.04 178.11 4.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -110.54 98.52 7.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -123.28 140.37 53.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 83' ' ' SER . 48.8 tptt -153.3 150.89 29.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.431 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 47.5 p 44.98 44.18 7.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -117.68 72.8 0.29 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.525 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 169.58 18.61 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.68 2.253 . . . . 0.0 112.31 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.8 t -106.97 91.12 3.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.9 m -128.63 127.43 42.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.482 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.2 p -81.38 127.96 33.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.811 0.339 . . . . 0.0 110.876 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.0 m -63.38 159.78 17.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.05 109.14 2.75 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 t -120.25 103.67 9.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.851 0.357 . . . . 0.0 110.847 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.8 p -90.29 42.12 1.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.825 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.18 161.05 35.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.488 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -110.34 162.42 14.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.748 0.308 . . . . 0.0 111.137 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -81.94 128.97 34.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -84.51 132.25 34.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.431 ' O ' ' C ' ' A' ' 12' ' ' ALA . 69.6 t80 -156.91 160.01 38.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 13' ' ' MET . . . -35.15 -63.54 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -35.36 -48.0 0.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 15' ' ' MET . 8.1 tp10 -60.29 -59.44 5.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.842 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.443 ' C ' ' O ' ' A' ' 14' ' ' GLU . 23.8 mmt -33.73 -48.34 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.06 42.86 91.89 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.462 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.703 ' O ' HD13 ' A' ' 33' ' ' LEU . 4.6 pp -114.46 18.31 16.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.804 0.335 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.514 ' HB2' ' HG3' ' A' ' 25' ' ' MET . . . -83.87 142.85 30.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.497 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.1 p -60.55 -175.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.841 HG12 ' O ' ' A' ' 42' ' ' LEU . 1.2 p -106.04 -20.69 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.622 HG21 ' HB3' ' A' ' 47' ' ' CYS . 98.9 t -65.94 -75.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.7 p -90.33 -12.03 38.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.8 mtt180 62.79 52.18 2.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.416 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 7.7 mm-40 -133.38 169.81 16.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.514 ' HG3' ' HB2' ' A' ' 18' ' ' ALA . 2.5 mpt? -111.79 -11.29 13.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.3 m -52.25 126.45 18.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.181 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.8 m -138.62 -179.21 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -148.18 157.39 43.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.3 t -43.59 -38.66 3.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -95.31 -48.41 2.4 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.474 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -89.9 95.02 10.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.804 0.335 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -105.04 -176.14 2.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.703 HD13 ' O ' ' A' ' 17' ' ' LEU . 7.5 mt -97.16 158.54 15.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.641 HG11 ' CD2' ' A' ' 64' ' ' TRP . 19.1 t -133.41 152.18 34.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -124.63 121.39 34.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 23.4 t -65.62 164.32 14.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.538 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 12.3 mm100 -103.85 -32.97 9.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -83.07 -60.68 2.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.3 p -82.45 -23.36 34.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 55.5 m80 63.96 32.01 13.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -96.86 148.05 23.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.841 ' O ' HG12 ' A' ' 20' ' ' VAL . 94.3 mt -86.21 128.8 34.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.406 ' CE1' HG11 ' A' ' 20' ' ' VAL . 38.6 m-85 -133.34 121.32 22.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.591 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 1.8 m80 -65.37 124.21 21.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.818 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 44' ' ' HIS . 19.5 mt-30 -34.15 -32.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.52 ' N ' ' O ' ' A' ' 44' ' ' HIS . 2.8 p-10 -89.88 -63.74 1.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.622 ' HB3' HG21 ' A' ' 21' ' ' VAL . 96.4 m -36.41 -39.0 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.8 t-80 -63.2 159.09 18.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.601 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 0.7 OUTLIER -62.4 -68.53 0.78 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.599 0.714 . . . . 0.0 110.895 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.601 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.9 Cg_endo -69.74 112.45 3.08 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.664 2.242 . . . . 0.0 112.361 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -48.88 101.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.2 t -83.7 139.14 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.9 p -101.82 174.79 5.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.44 ' C ' ' OD1' ' A' ' 58' ' ' ASN . 1.6 p-10 -75.93 -54.6 6.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -37.58 -31.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 54' ' ' ASP . 8.6 mt-10 -73.53 -72.51 0.26 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.859 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.598 ' CG1' HG22 ' A' ' 34' ' ' VAL . 32.9 m -47.73 -22.91 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.44 ' OD1' ' C ' ' A' ' 54' ' ' ASP . 20.8 m120 -66.04 -36.5 83.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.408 ' HB3' ' CB ' ' A' ' 62' ' ' LEU . 39.4 t0 -63.65 115.02 15.33 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.618 0.723 . . . . 0.0 110.844 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.64 -33.26 17.42 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.725 2.283 . . . . 0.0 112.384 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -99.31 34.77 2.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.408 ' CB ' ' HB3' ' A' ' 59' ' ' ASP . 0.9 OUTLIER -104.18 146.85 28.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.413 ' CG1' ' CE2' ' A' ' 65' ' ' TYR . 71.4 t -108.51 111.14 34.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.641 ' CD2' HG11 ' A' ' 34' ' ' VAL . 25.0 t90 -105.69 136.06 45.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.538 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 28.1 m-85 -133.66 126.44 30.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 67' ' ' ALA . 17.0 p -76.76 149.03 36.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.48 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -37.16 -60.13 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.097 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.48 ' C ' ' O ' ' A' ' 67' ' ' ALA . 7.3 mmm180 -31.58 -41.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.425 ' N ' ' O ' ' A' ' 67' ' ' ALA . 74.7 m -91.17 -43.03 10.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.6 m -48.99 -45.54 42.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.179 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -60.64 -29.99 69.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -71.76 -55.32 7.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 30.2 mtt -60.7 -36.34 78.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt -37.78 157.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.4 ptt-85 -65.37 -34.88 79.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.4 mmt -42.58 -26.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 78' ' ' GLN . . . -116.14 49.73 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 77' ' ' ALA . 10.2 pt20 -34.04 129.25 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.7 ptmm? -174.08 128.93 0.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 57.72 43.35 22.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -99.19 135.15 41.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 83' ' ' SER . 14.7 tttm -100.8 -54.58 2.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 82' ' ' LYS . 4.3 m -34.29 -60.36 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.854 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 145.57 87.0 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 97.54 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.662 2.241 . . . . 0.0 112.331 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.4 t -79.74 113.44 17.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.5 p -45.24 -45.24 11.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.475 179.968 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.6 m 55.51 44.88 26.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.867 0.365 . . . . 0.0 110.836 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.5 p -125.82 123.07 37.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.42 150.88 6.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.46 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 m -81.24 109.01 15.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.873 0.368 . . . . 0.0 110.893 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -73.41 -48.03 37.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.51 -146.84 18.78 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.471 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -144.78 174.8 10.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 111.078 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -160.0 146.26 15.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -60.06 141.36 55.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.423 ' O ' ' C ' ' A' ' 12' ' ' ALA . 20.1 t80 -157.34 170.39 22.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 13' ' ' MET . . . -35.87 -47.78 0.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.096 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 12' ' ' ALA . 38.6 mmm -34.38 -48.83 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -47.35 -62.87 1.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.452 ' HB3' HD23 ' A' ' 17' ' ' LEU . 67.5 mtm -61.1 -49.8 75.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.59 37.99 92.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.518 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.662 ' O ' HD12 ' A' ' 17' ' ' LEU . 4.4 pp -109.99 20.52 17.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.804 0.335 . . . . 0.0 110.951 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -93.82 148.0 22.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.076 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.487 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.4 p -62.02 -179.52 0.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.719 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -103.89 -16.46 7.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.878 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.592 HG21 ' HB3' ' A' ' 47' ' ' CYS . 67.5 t -70.08 -76.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.8 p -90.16 -14.95 32.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.8 mtm180 65.14 52.77 1.44 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.826 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -133.74 -176.98 4.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.702 ' O ' HG13 ' A' ' 27' ' ' VAL . 14.3 mtm -122.6 -19.93 6.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.8 m -41.89 125.22 2.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.143 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.702 HG13 ' O ' ' A' ' 25' ' ' MET . 30.1 m -140.79 172.69 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.88 176.22 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 83.6 p -44.75 104.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.58 -37.22 3.44 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -88.63 44.03 1.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.802 0.334 . . . . 0.0 110.873 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -81.97 -176.29 6.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.575 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 13.1 mt -103.81 157.26 17.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.465 HG11 ' CD2' ' A' ' 64' ' ' TRP . 20.3 t -137.83 154.81 29.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.406 ' N ' HG12 ' A' ' 34' ' ' VAL . 1.9 tm-20 -124.34 128.08 48.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 33.7 t -73.6 160.84 31.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.551 ' HG3' HG12 ' A' ' 63' ' ' VAL . 8.6 mm-40 -101.55 -24.34 14.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -88.47 -63.88 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.9 p -81.35 -26.82 35.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 41.4 m80 68.12 36.02 3.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.85 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -103.67 145.62 29.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.719 ' O ' HG12 ' A' ' 20' ' ' VAL . 44.3 mt -80.05 127.71 32.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.453 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 27.6 m-85 -132.63 114.83 14.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.575 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.9 m80 -60.67 124.76 21.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.853 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 44' ' ' HIS . 10.2 mt-30 -36.32 -29.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 44' ' ' HIS . 11.8 t0 -90.76 -65.04 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.592 ' HB3' HG21 ' A' ' 21' ' ' VAL . 95.6 m -36.65 -38.54 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -63.51 155.41 29.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.599 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 8.7 mmtp -60.88 -68.35 0.82 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.595 0.712 . . . . 0.0 110.919 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.599 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 54.1 Cg_endo -69.74 109.87 2.41 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.684 2.256 . . . . 0.0 112.362 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -47.41 100.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 98.6 t -72.12 146.35 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 62.7 p -111.54 177.27 4.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.184 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -76.61 -45.35 30.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.923 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -43.03 -29.13 0.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -76.46 -70.23 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.7 m -48.21 -34.73 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -63.61 -37.41 87.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.458 ' HB3' ' CB ' ' A' ' 62' ' ' LEU . 2.9 m-20 -64.73 111.34 5.53 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.64 0.733 . . . . 0.0 110.866 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -42.92 2.97 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.671 2.247 . . . . 0.0 112.333 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -91.35 33.02 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.477 ' HG ' ' N ' ' A' ' 63' ' ' VAL . 0.1 OUTLIER -107.13 149.91 27.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.551 HG12 ' HG3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -112.9 123.82 68.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.829 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.465 ' CD2' HG11 ' A' ' 34' ' ' VAL . 14.2 t90 -107.49 131.21 54.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -126.93 118.91 25.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 67' ' ' ALA . 20.3 p -72.51 143.05 48.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.472 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -33.61 -57.05 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 67' ' ' ALA . 17.3 mmt180 -32.54 -46.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 67.1 m -83.18 -49.45 9.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.4 m -43.95 -49.4 8.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.129 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.41 ' C ' ' HD3' ' A' ' 71' ' ' ARG . 0.2 OUTLIER -62.8 -33.92 76.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -73.1 -63.48 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 5.1 mtm -47.66 -37.99 13.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -71.26 100.43 2.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.444 ' NH1' ' HB2' ' A' ' 75' ' ' ARG . 2.6 ptm85 -118.87 -38.0 3.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -87.76 30.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.13 -9.0 58.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -130.09 142.52 50.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.83 131.24 7.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -122.11 176.55 5.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -97.38 43.37 1.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 83' ' ' SER . 35.0 mtmt -130.0 147.54 51.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 82' ' ' LYS . 49.0 m -34.69 -58.64 0.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.836 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 153.8 63.92 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 103.34 1.15 Allowed 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.737 2.291 . . . . 0.0 112.339 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.8 p -136.85 147.09 46.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 97.7 p -156.64 117.32 3.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.087 -0.841 . . . . 0.0 112.503 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t -126.23 100.38 6.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.367 . . . . 0.0 110.874 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.9 p -115.33 172.62 6.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.89 -157.24 11.55 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.9 t -54.85 141.01 34.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.943 0.401 . . . . 0.0 110.826 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t -169.24 145.95 3.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.8 -141.69 8.21 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.501 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -128.87 -56.39 1.19 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.754 0.312 . . . . 0.0 111.076 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.402 ' OD1' ' CD2' ' A' ' 11' ' ' PHE . 2.6 p30 -119.2 34.34 5.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.913 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 39.15 54.87 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.832 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.402 ' CD2' ' OD1' ' A' ' 9' ' ' ASP . 0.3 OUTLIER -44.79 -71.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.555 ' HB1' ' HA2' ' A' ' 16' ' ' GLY . . . -108.13 -23.69 11.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.138 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.87 -33.1 16.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -59.15 -60.62 3.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.941 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.443 ' HB2' ' CD2' ' A' ' 17' ' ' LEU . 5.0 mmt -120.73 -44.61 2.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.555 ' HA2' ' HB1' ' A' ' 12' ' ' ALA . . . 75.99 62.99 2.5 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.495 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.613 ' O ' HD13 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -118.4 23.79 11.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.797 0.332 . . . . 0.0 110.886 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.609 ' HB2' ' HG3' ' A' ' 25' ' ' MET . . . -106.53 145.45 31.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.479 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.1 p -66.35 -177.77 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.803 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -105.32 -20.66 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.557 HG21 ' HB3' ' A' ' 47' ' ' CYS . 95.2 t -65.74 -75.77 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.0 p -90.36 -12.24 38.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 49.9 mtp85 62.12 52.47 3.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -130.69 172.05 12.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.609 ' HG3' ' HB2' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -115.78 -6.73 12.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.2 m -56.21 123.02 13.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.16 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.0 m -135.72 -176.53 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 29' ' ' SER . . . -159.8 149.18 17.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 28' ' ' ALA . 33.2 m -38.33 -40.16 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.2 -44.82 4.6 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.488 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -102.96 97.28 7.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.876 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.42 ' H ' ' CD ' ' A' ' 45' ' ' GLN . 11.5 mm100 -108.84 -174.4 2.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.613 HD13 ' O ' ' A' ' 17' ' ' LEU . 7.5 mt -96.27 164.05 12.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.674 HG11 ' CD2' ' A' ' 64' ' ' TRP . 15.7 t -138.77 155.79 27.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.152 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.414 ' N ' HG12 ' A' ' 34' ' ' VAL . 26.7 tt0 -128.72 128.69 44.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.0 t -76.54 162.98 27.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.478 ' HG3' HG13 ' A' ' 63' ' ' VAL . 10.5 mm100 -104.25 -32.18 9.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -78.55 -58.17 3.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.2 m -85.88 -33.37 21.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 12.4 m80 74.01 39.37 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -108.56 148.61 30.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.803 ' O ' HG12 ' A' ' 20' ' ' VAL . 70.5 mt -84.28 127.77 34.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -133.62 118.11 17.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.958 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.577 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.2 m80 -61.72 127.04 29.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.42 ' CD ' ' H ' ' A' ' 32' ' ' GLN . 25.3 mt-30 -36.71 -29.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 44' ' ' HIS . 5.9 t70 -93.12 -63.92 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.557 ' HB3' HG21 ' A' ' 21' ' ' VAL . 87.1 m -36.66 -39.35 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.512 ' CE1' ' HA ' ' A' ' 66' ' ' CYS . 1.8 t-80 -62.57 160.95 12.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.58 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 3.7 mmmt -64.28 -67.51 1.04 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.599 0.714 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.58 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.7 Cg_endo -69.73 110.92 2.67 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.7 2.267 . . . . 0.0 112.354 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -48.62 101.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.7 t -83.64 137.44 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.7 p -101.98 179.57 4.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -72.86 -49.22 31.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.69 -33.88 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -72.36 -72.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.522 HG12 HG22 ' A' ' 34' ' ' VAL . 16.0 m -46.28 -26.24 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -64.82 -50.2 67.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -60.29 110.56 2.97 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.636 0.731 . . . . 0.0 110.9 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -37.51 9.07 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.668 2.245 . . . . 0.0 112.346 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 42.7 mtt180 -88.98 29.27 1.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 tp -105.05 130.49 53.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.478 HG13 ' HG3' ' A' ' 37' ' ' GLN . 94.1 t -91.58 107.44 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.674 ' CD2' HG11 ' A' ' 34' ' ' VAL . 24.9 t90 -94.22 150.65 20.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.409 ' CZ ' ' HE1' ' A' ' 73' ' ' MET . 15.3 m-85 -140.07 144.51 36.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.512 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 26.6 p -96.65 140.99 30.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -30.1 -55.13 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 67' ' ' ALA . 2.5 mmm180 -34.82 -53.09 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 72' ' ' GLN . 22.7 p -85.56 -50.1 7.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.465 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 80.8 m -37.98 -54.91 1.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.408 ' NH1' ' HB3' ' A' ' 71' ' ' ARG . 3.3 ptp180 -52.4 -38.36 58.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 69' ' ' CYS . 47.2 mt-30 -68.31 -36.58 79.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.409 ' HE1' ' CZ ' ' A' ' 65' ' ' TYR . 8.2 mtt -80.16 -26.75 39.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 70' ' ' THR . 3.3 mmmm -38.7 146.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -65.94 -29.88 70.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 12.8 mtt -85.23 28.52 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -103.84 40.99 1.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.103 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -57.51 -32.72 67.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.9 pttp -83.57 44.07 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -109.65 79.47 1.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -42.54 156.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 56.1 tttt -82.86 140.78 32.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.6 p -131.71 -51.62 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.824 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.04 78.16 0.22 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 125.72 12.46 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.697 2.265 . . . . 0.0 112.316 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 33.2 p -49.83 -53.02 28.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.1 t -73.25 137.26 44.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.522 179.978 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.4 m -129.42 127.27 40.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.889 0.376 . . . . 0.0 110.867 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.8 p -117.24 150.3 38.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.67 -79.97 0.12 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 6' ' ' SER . 75.5 m -83.97 83.78 7.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.843 0.354 . . . . 0.0 110.864 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 5' ' ' SER . 3.4 m -36.23 115.05 0.32 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.71 -159.39 9.62 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.465 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -129.88 174.72 9.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.33 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -91.86 125.9 36.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.823 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.39 80.47 1.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.494 ' O ' ' N ' ' A' ' 13' ' ' MET . 0.7 OUTLIER -60.83 -35.96 77.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.498 ' HB1' HD21 ' A' ' 17' ' ' LEU . . . -37.49 -27.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.093 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.494 ' N ' ' O ' ' A' ' 11' ' ' PHE . 13.7 mmt -34.41 -58.47 0.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -45.47 -58.59 3.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 41.9 mtt -49.05 -46.55 44.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.06 65.01 1.73 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.548 ' O ' HD13 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -123.04 23.11 9.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.925 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.557 ' HB2' ' HG3' ' A' ' 25' ' ' MET . . . -112.87 144.71 41.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.071 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.469 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -63.79 -177.38 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 -179.895 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.767 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -105.51 -18.94 6.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 179.92 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.583 HG21 ' HB3' ' A' ' 47' ' ' CYS . 94.1 t -66.53 -75.65 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.1 p -90.77 -12.37 36.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 61.71 51.9 3.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -130.34 176.19 8.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.557 ' HG3' ' HB2' ' A' ' 18' ' ' ALA . 2.1 mpt? -117.95 -14.13 10.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.5 m -48.6 123.43 6.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.138 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.458 HG13 ' O ' ' A' ' 25' ' ' MET . 17.2 m -138.85 -175.67 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.164 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 29' ' ' SER . . . -157.82 157.88 34.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 28' ' ' ALA . 38.5 m -35.12 -46.27 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -92.71 -57.6 1.41 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.495 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 -75.01 90.35 2.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.77 0.319 . . . . 0.0 110.862 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -106.5 -174.78 2.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.585 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 9.3 mt -100.65 153.61 19.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.746 HG11 ' CD2' ' A' ' 64' ' ' TRP . 46.1 t -130.25 158.29 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.497 ' N ' HG12 ' A' ' 34' ' ' VAL . 1.4 tm-20 -130.06 131.06 45.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 37' ' ' GLN . 41.1 t -77.54 163.24 26.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.907 ' HG3' HG23 ' A' ' 63' ' ' VAL . 26.3 mm100 -99.96 -35.87 9.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.7 -68.07 0.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.7 m -74.27 -25.97 59.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.522 ' CD2' ' O ' ' A' ' 37' ' ' GLN . 24.1 m-70 63.55 41.62 7.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -109.82 150.59 28.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.767 ' O ' HG12 ' A' ' 20' ' ' VAL . 66.0 mt -84.85 126.86 33.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -131.7 114.32 14.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.585 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.3 m80 -57.86 125.57 23.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' HIS . 19.9 mt-30 -37.51 -27.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -93.61 -64.5 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.583 ' HB3' HG21 ' A' ' 21' ' ' VAL . 85.3 m -36.79 -38.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.414 ' CE1' ' HA ' ' A' ' 66' ' ' CYS . 1.8 t-80 -62.76 157.93 19.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.602 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 24.6 mtmt -62.69 -68.4 0.82 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.608 0.718 . . . . 0.0 110.949 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.602 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.8 Cg_endo -69.78 109.42 2.31 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.669 2.246 . . . . 0.0 112.337 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -46.82 102.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.52 HG11 HG21 ' A' ' 34' ' ' VAL . 92.3 t -76.52 138.37 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 64.7 p -97.24 176.41 5.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 56' ' ' GLU . 2.0 m-20 -75.03 -58.78 3.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 54' ' ' ASP . 8.0 pttm -33.94 -34.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 54' ' ' ASP . 8.5 mm-40 -62.37 -67.5 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 54' ' ' ASP . 34.6 m -55.05 -33.32 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -56.95 -46.09 82.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.466 ' HB3' ' CB ' ' A' ' 62' ' ' LEU . 25.2 t0 -61.2 113.6 8.4 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.592 0.71 . . . . 0.0 110.857 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -39.6 6.47 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.37 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -94.46 35.09 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.484 ' HG ' ' N ' ' A' ' 63' ' ' VAL . 0.1 OUTLIER -100.99 150.27 23.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.907 HG23 ' HG3' ' A' ' 37' ' ' GLN . 7.1 p -113.28 109.88 30.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.746 ' CD2' HG11 ' A' ' 34' ' ' VAL . 39.7 t90 -101.13 152.61 20.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.548 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 41.9 m-85 -142.23 153.8 44.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.453 ' O ' ' C ' ' A' ' 67' ' ' ALA . 27.3 p -106.46 143.51 34.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.919 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -32.75 -54.53 0.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 67' ' ' ALA . 1.9 mmm180 -33.81 -48.34 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.839 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 72' ' ' GLN . 25.8 p -92.85 -48.68 6.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.473 HG22 ' HE3' ' A' ' 74' ' ' LYS . 15.4 m -41.7 -35.13 0.71 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.135 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.4 ' HD3' ' C ' ' A' ' 71' ' ' ARG . 0.6 OUTLIER -78.28 -34.27 48.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 69' ' ' CYS . 13.0 mm-40 -69.66 -59.28 3.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 8.9 mtm -48.0 -38.12 16.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.541 ' HB3' ' HB2' ' A' ' 77' ' ' ALA . 36.3 mttt -45.46 116.9 1.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -74.08 -40.07 63.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.451 ' HA ' ' CE ' ' A' ' 76' ' ' MET . 27.5 mmt -86.38 28.88 0.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.541 ' HB2' ' HB3' ' A' ' 74' ' ' LYS . . . -112.0 41.66 1.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.137 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -120.54 135.82 54.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -130.96 22.07 4.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -142.48 171.9 13.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.8 pm0 -94.98 146.52 24.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -150.41 155.17 39.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 72.7 p -78.82 -56.29 4.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.06 -98.75 1.07 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 173.35 11.12 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.315 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.1 p -75.98 -43.8 42.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.6 m -54.34 -54.43 40.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.114 -0.826 . . . . 0.0 112.468 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 p -95.85 146.38 24.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.895 0.378 . . . . 0.0 110.894 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.2 t -63.11 -51.38 66.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 63.79 151.46 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 4' ' ' GLY . 5.7 t -34.9 -55.53 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 0.0 110.862 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.1 t -85.51 162.54 18.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.806 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.9 49.47 0.49 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.448 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -101.08 164.61 11.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.833 0.349 . . . . 0.0 111.085 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -101.48 132.62 47.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -118.23 124.33 47.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.497 ' O ' ' N ' ' A' ' 13' ' ' MET . 0.7 OUTLIER -89.15 -34.71 16.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 13' ' ' MET . . . -36.42 -29.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.048 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.497 ' N ' ' O ' ' A' ' 11' ' ' PHE . 77.3 mmm -34.47 -53.6 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 15' ' ' MET . 39.8 tp10 -60.3 -63.1 1.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.434 ' C ' ' O ' ' A' ' 14' ' ' GLU . 9.1 mtp -34.49 -57.18 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.8 67.5 1.54 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.452 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.505 ' O ' HD13 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -122.2 22.91 10.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.84 0.352 . . . . 0.0 110.954 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.506 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -108.88 140.81 41.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.472 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -62.65 -177.33 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.778 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -106.26 -17.64 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.085 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.552 HG21 ' HB3' ' A' ' 47' ' ' CYS . 65.5 t -68.93 -75.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.4 p -90.51 -12.57 36.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.8 mtt85 63.29 51.01 2.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -132.04 173.31 11.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.406 ' O ' HG13 ' A' ' 27' ' ' VAL . 2.3 mpt? -115.41 -10.79 11.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 93.6 m -48.47 126.36 11.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.406 HG13 ' O ' ' A' ' 25' ' ' MET . 16.0 m -143.11 -176.97 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.175 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 29' ' ' SER . . . -161.36 164.58 29.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 28' ' ' ALA . 1.9 t -37.6 -40.5 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -104.28 -44.36 1.61 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.494 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -81.0 78.67 7.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.744 0.307 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -100.47 -174.89 2.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.552 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 10.0 mt -104.33 163.65 12.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 42' ' ' LEU . 3.5 t -138.27 151.84 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -123.96 122.65 38.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.846 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 23.8 t -66.92 164.7 16.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.455 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 13.4 mm100 -103.91 -30.36 10.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.26 -62.74 1.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.3 p -82.21 -24.27 34.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 65.39 34.09 8.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -97.88 148.02 23.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.778 ' O ' HG12 ' A' ' 20' ' ' VAL . 92.8 mt -84.86 126.33 33.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -131.92 118.8 20.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.552 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.2 m80 -62.81 127.62 32.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -38.98 -25.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 44' ' ' HIS . 29.9 t70 -96.57 -64.09 1.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.552 ' HB3' HG21 ' A' ' 21' ' ' VAL . 88.0 m -36.0 -39.63 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.9 t-80 -61.91 156.11 21.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.602 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 3.8 mmtm -61.25 -68.29 0.84 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.53 0.681 . . . . 0.0 110.925 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.602 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 54.2 Cg_endo -69.77 109.27 2.27 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.713 2.275 . . . . 0.0 112.355 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -46.78 101.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.2 t -71.47 141.42 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 75.2 p -100.78 169.6 8.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.69 -44.17 62.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -44.93 -28.47 0.67 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -77.37 -70.91 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 33.0 m -43.87 -27.31 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -73.28 -51.67 16.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.425 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 2.0 m-20 -51.64 107.68 0.89 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.608 0.718 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 59' ' ' ASP . 53.6 Cg_endo -69.77 -24.06 30.03 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 2.256 . . . . 0.0 112.327 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.405 ' HD2' ' O ' ' A' ' 61' ' ' ARG . 1.2 ppt_? -107.05 28.29 8.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.411 ' HB2' ' HB3' ' A' ' 59' ' ' ASP . 2.3 tp -97.11 144.3 27.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.1 t -104.09 107.67 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 18.5 t90 -100.92 132.93 46.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.455 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 16.3 m-85 -130.58 116.85 18.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.4 p -67.8 144.9 55.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.462 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -38.78 -57.65 1.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.462 ' C ' ' O ' ' A' ' 67' ' ' ALA . 14.2 mmt180 -32.85 -41.06 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 86.7 m -86.75 -49.61 7.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.7 m -45.54 -42.32 10.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.126 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 72' ' ' GLN . 11.9 ptm180 -64.71 -36.15 83.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.434 ' N ' ' HG3' ' A' ' 71' ' ' ARG . 14.9 mm100 -68.39 -62.46 1.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 17.6 mtm -51.98 -38.0 55.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -63.15 145.23 55.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.934 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.511 ' NH2' ' HB3' ' A' ' 77' ' ' ALA . 2.9 ptm85 -57.54 -47.96 80.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.46 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 27.1 mtp 46.52 42.13 10.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.511 ' HB3' ' NH2' ' A' ' 75' ' ' ARG . . . -113.53 40.97 2.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.06 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -83.57 121.31 27.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.938 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -41.13 111.27 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -74.46 -54.33 7.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -80.86 43.23 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -145.25 117.9 8.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.1 m -114.52 93.49 4.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -117.72 71.78 0.29 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 102.86 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 2.259 . . . . 0.0 112.364 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 31.4 m -95.16 169.66 9.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 59.1 p -152.35 149.58 28.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 CA-C-O 119.132 -0.815 . . . . 0.0 112.525 179.977 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m -65.25 122.12 16.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.371 . . . . 0.0 110.857 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -107.6 108.84 20.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.08 170.92 2.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.503 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -93.33 -55.06 3.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.898 0.38 . . . . 0.0 110.868 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 t -72.16 -62.39 1.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.883 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.43 128.86 9.53 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -147.14 107.72 4.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 111.101 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.6 130.35 17.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -88.4 112.62 23.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.822 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.522 ' O ' ' N ' ' A' ' 13' ' ' MET . 0.1 OUTLIER -53.36 129.72 32.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.902 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 11' ' ' PHE . . . 35.73 29.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.522 ' N ' ' O ' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -130.41 -30.29 1.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -77.35 -38.28 50.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.672 ' HB3' HD23 ' A' ' 17' ' ' LEU . 29.0 mtp -72.88 -35.35 67.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.55 46.13 37.56 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.48 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.705 ' O ' HD12 ' A' ' 17' ' ' LEU . 4.2 pp -115.25 21.29 14.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.341 . . . . 0.0 110.909 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -96.23 147.08 24.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.473 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -61.87 -178.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.8 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -104.1 -18.34 6.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.145 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.592 HG21 ' HB3' ' A' ' 47' ' ' CYS . 89.4 t -67.72 -76.05 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.8 p -90.98 -12.04 37.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 61.77 52.16 3.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -129.16 172.28 11.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.474 ' HB3' HD11 ' A' ' 17' ' ' LEU . 37.0 mtp -116.35 -12.81 11.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 95.7 m -53.0 129.19 29.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.8 m -143.7 -179.31 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 29' ' ' SER . . . -154.45 150.9 28.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 28' ' ' ALA . 3.0 m -34.14 -36.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 28' ' ' ALA . . . -97.66 -49.15 1.85 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -88.99 87.69 7.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.802 0.334 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -103.95 -178.85 3.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.585 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 7.2 mt -97.16 164.3 12.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.981 HG22 HG12 ' A' ' 57' ' ' VAL . 10.6 t -138.92 153.46 25.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.066 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -122.73 128.07 50.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.451 ' SG ' ' N ' ' A' ' 37' ' ' GLN . 36.5 t -76.1 163.34 27.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.61 ' HG3' HG13 ' A' ' 63' ' ' VAL . 7.3 mm100 -100.62 -36.82 9.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.963 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.432 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 0.2 OUTLIER -76.97 -69.38 0.53 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.839 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 40' ' ' HIS . 1.5 m -74.43 -23.75 58.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.462 ' CD2' ' O ' ' A' ' 37' ' ' GLN . 31.3 m-70 63.82 33.47 12.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.811 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -100.87 154.01 19.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.8 ' O ' HG12 ' A' ' 20' ' ' VAL . 55.8 mt -88.54 130.9 35.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -134.95 117.16 15.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.585 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.4 m80 -60.52 127.3 31.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.63 ' NE2' HG11 ' A' ' 57' ' ' VAL . 22.1 mt-30 -37.39 -28.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 44' ' ' HIS . 12.7 t0 -94.25 -64.88 1.03 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.592 ' HB3' HG21 ' A' ' 21' ' ' VAL . 91.2 m -34.9 -38.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.423 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.7 t-80 -61.97 158.35 16.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.807 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.595 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 34.1 mttt -63.73 -68.13 0.89 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.594 0.712 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.595 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.8 Cg_endo -69.87 110.43 2.57 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.626 2.218 . . . . 0.0 112.351 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -45.74 103.78 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.46 ' CG1' ' HG2' ' A' ' 45' ' ' GLN . 89.8 t -73.35 144.6 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.4 ' O ' ' OE1' ' A' ' 45' ' ' GLN . 63.7 p -94.98 176.99 6.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.91 -34.81 38.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -65.59 -43.2 90.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -55.58 -59.98 4.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.981 HG12 HG22 ' A' ' 34' ' ' VAL . 26.8 m -53.82 -36.33 29.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -67.48 -48.33 67.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -40.03 101.66 0.24 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.723 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -36.04 11.5 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.714 2.276 . . . . 0.0 112.329 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.9 ptp180 -100.13 34.93 2.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.0 tp -110.91 140.42 45.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.61 HG13 ' HG3' ' A' ' 37' ' ' GLN . 97.3 t -97.29 93.92 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.508 ' CD2' HG11 ' A' ' 34' ' ' VAL . 60.8 t90 -86.43 136.7 33.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.52 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 19.5 m-85 -126.18 148.48 49.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.463 ' O ' ' C ' ' A' ' 67' ' ' ALA . 27.4 p -99.22 140.49 33.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.463 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -30.9 -52.97 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 67' ' ' ALA . 14.5 mmt-85 -35.65 -50.5 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.437 ' SG ' ' O ' ' A' ' 66' ' ' CYS . 21.6 p -88.17 -48.64 7.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.3 m -41.31 -49.88 3.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.196 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 72' ' ' GLN . 9.2 ptp180 -58.27 -35.85 72.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.433 ' N ' ' HG3' ' A' ' 71' ' ' ARG . 61.5 mt-30 -69.39 -61.96 1.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.441 ' O ' ' C ' ' A' ' 74' ' ' LYS . 11.9 mtt -52.39 -41.42 63.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 73' ' ' MET . 18.5 mmtt -34.73 142.18 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.2 ptt-85 -89.85 -30.0 18.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 27.9 ttt -65.49 -12.48 53.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -109.1 35.98 3.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.107 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -79.23 135.01 36.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.32 22.98 5.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -105.59 162.05 13.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -86.11 -26.24 25.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -151.74 124.29 8.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.8 p -70.28 127.12 31.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -78.46 -101.77 0.21 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.449 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 101.97 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.354 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.8 m -160.61 120.36 2.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.9 m -92.43 42.38 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.825 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.182 -0.788 . . . . 0.0 112.488 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -147.23 147.2 30.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.905 0.383 . . . . 0.0 110.835 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 t -59.89 -60.97 2.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.04 -160.78 17.62 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.529 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.2 p -165.71 163.11 19.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.919 0.39 . . . . 0.0 110.824 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -45.27 122.14 3.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.11 107.6 3.4 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.46 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.26 160.39 32.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 0.0 111.058 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.16 88.17 6.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -154.99 145.32 22.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -152.81 145.49 24.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.464 ' O ' ' C ' ' A' ' 13' ' ' MET . . . -50.83 -45.37 59.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.072 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.464 ' C ' ' O ' ' A' ' 12' ' ' ALA . 4.5 mmt -32.68 -45.52 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -39.5 -62.42 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.54 ' HB3' HD23 ' A' ' 17' ' ' LEU . 3.7 mmt -84.95 -42.11 15.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.43 35.99 45.75 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.683 ' O ' HD12 ' A' ' 17' ' ' LEU . 4.0 pp -113.52 23.59 13.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.835 0.35 . . . . 0.0 110.893 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -101.43 143.43 31.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.089 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.488 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.9 p -62.9 178.46 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.791 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -104.56 -10.53 9.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.522 HG21 ' HB3' ' A' ' 47' ' ' CYS . 99.3 t -75.87 -75.66 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.6 p -90.84 -11.93 37.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 62.75 54.3 2.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -132.02 173.07 11.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.586 ' HB3' HD11 ' A' ' 17' ' ' LEU . 63.3 mtm -118.31 -2.98 11.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.6 m -56.78 124.25 17.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.204 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.0 m -144.28 166.27 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -174.62 170.78 3.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.2 p -45.74 123.51 4.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.57 -32.83 3.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.462 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -110.14 67.12 0.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.734 0.302 . . . . 0.0 110.929 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -96.57 -175.72 3.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.591 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 4.4 mt -102.79 156.45 17.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.564 HG11 ' CD2' ' A' ' 64' ' ' TRP . 14.5 t -134.01 155.65 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.41 ' N ' HG12 ' A' ' 34' ' ' VAL . 31.8 tt0 -123.38 134.58 53.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.6 t -82.86 158.07 22.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.595 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 75.5 mm-40 -93.78 -29.45 15.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.94 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.411 ' HB3' ' SG ' ' A' ' 69' ' ' CYS . 0.7 OUTLIER -86.29 -64.35 1.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 40' ' ' HIS . 3.9 m -71.38 -25.71 62.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.406 ' HB2' ' O ' ' A' ' 39' ' ' CYS . 54.6 m-70 63.68 26.52 14.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -98.89 -174.39 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.791 ' O ' HG12 ' A' ' 20' ' ' VAL . 45.4 mt -116.85 132.29 56.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.51 ' CE1' HG11 ' A' ' 20' ' ' VAL . 31.8 m-85 -132.59 114.9 14.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.591 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.7 m80 -58.88 124.17 18.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.486 ' NE2' ' O ' ' A' ' 52' ' ' VAL . 10.4 mt-30 -32.78 -35.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 44' ' ' HIS . 23.1 t0 -86.55 -63.81 1.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.522 ' HB3' HG21 ' A' ' 21' ' ' VAL . 81.4 m -35.92 -36.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.428 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.8 t-80 -65.06 159.23 23.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.58 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 50.4 mttt -65.03 -67.56 1.01 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.576 0.703 . . . . 0.0 110.862 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.58 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.8 Cg_endo -69.73 109.28 2.27 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.354 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -46.09 102.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.96 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.486 ' O ' ' NE2' ' A' ' 45' ' ' GLN . 50.7 t -84.91 148.37 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 81.3 p -112.13 167.34 10.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.149 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 55' ' ' LYS . 4.5 m-20 -67.9 -54.11 21.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 54' ' ' ASP . 3.0 ttmm -34.13 -41.6 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -68.46 -60.93 2.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.466 HG21 ' OE1' ' A' ' 45' ' ' GLN . 15.6 t -42.91 -36.98 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -61.34 -56.73 17.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.441 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 10.8 t0 -41.46 105.86 0.41 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.607 0.718 . . . . 0.0 110.918 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 59' ' ' ASP . 53.1 Cg_endo -69.77 -34.35 14.72 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.718 2.278 . . . . 0.0 112.301 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -92.69 29.26 1.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.426 ' CB ' ' HB3' ' A' ' 59' ' ' ASP . 7.5 tp -103.56 133.83 47.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.647 ' O ' HG13 ' A' ' 63' ' ' VAL . 13.6 p -95.79 106.6 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.564 ' CD2' HG11 ' A' ' 34' ' ' VAL . 21.1 t90 -98.84 132.34 44.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.595 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 17.1 m-85 -131.9 124.04 28.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 67' ' ' ALA . 14.1 p -65.25 145.52 56.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.474 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -35.43 -60.9 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.474 ' C ' ' O ' ' A' ' 67' ' ' ALA . 15.3 mmt180 -32.4 -42.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.411 ' SG ' ' HB3' ' A' ' 38' ' ' GLU . 76.1 m -84.62 -49.51 8.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.0 m -46.74 -47.19 20.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.472 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 0.9 OUTLIER -59.23 -33.35 70.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -73.52 -62.85 1.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.429 ' HE1' ' CZ ' ' A' ' 65' ' ' TYR . 43.5 mtt -46.14 -34.98 4.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -53.36 140.45 27.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -31.97 66.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 6.4 mtm -61.51 -13.36 20.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -121.54 46.63 2.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.104 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -63.62 134.96 56.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -104.66 143.86 32.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -46.89 -57.74 4.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -45.25 147.75 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -143.68 110.26 5.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.8 t -74.11 136.21 42.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.858 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -76.14 -109.33 0.12 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 151.87 69.46 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.344 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 95.5 p -152.76 125.74 8.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.846 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.7 m -93.7 98.77 11.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.512 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -108.66 177.02 4.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.856 0.36 . . . . 0.0 110.845 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -45.39 115.71 0.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.48 96.15 0.74 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.493 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.6 p -123.31 146.93 47.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.921 0.391 . . . . 0.0 110.861 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m -81.64 -48.23 11.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.854 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.24 124.84 1.97 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -133.07 146.09 51.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 111.077 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -63.33 109.78 1.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -107.57 139.02 42.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.53 -72.37 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.548 ' HB1' HD21 ' A' ' 17' ' ' LEU . . . -104.59 -33.91 8.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.15 -31.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 15' ' ' MET . 19.7 mt-10 -68.25 -63.35 1.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.47 ' HB2' ' CD2' ' A' ' 17' ' ' LEU . 44.9 mtm -35.55 -37.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.537 ' O ' HD11 ' A' ' 42' ' ' LEU . . . 87.56 57.76 1.92 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.548 HD21 ' HB1' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -114.29 21.42 14.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.814 0.34 . . . . 0.0 110.906 -179.906 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.568 ' HB2' ' CG ' ' A' ' 25' ' ' MET . . . -113.66 139.43 49.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.471 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.2 p -58.07 179.52 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.826 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -104.21 -16.33 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.09 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.586 HG21 ' HB3' ' A' ' 47' ' ' CYS . 99.6 t -69.07 -75.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.0 p -90.54 -15.87 29.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.4 mtm-85 66.83 50.68 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -126.0 163.65 22.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.568 ' CG ' ' HB2' ' A' ' 18' ' ' ALA . 14.2 mtm -114.76 1.24 14.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.9 m -73.53 128.47 35.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.127 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.8 m -138.18 -175.57 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -148.22 -175.12 4.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.075 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.6 p -61.23 -57.0 14.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.466 ' O ' ' NE2' ' A' ' 45' ' ' GLN . . . -83.04 -41.89 8.38 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.5 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 -90.37 95.1 10.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.762 0.315 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.592 ' H ' ' NE2' ' A' ' 45' ' ' GLN . 24.1 mm-40 -109.05 -174.5 2.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.59 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 3.7 mt -101.73 161.47 13.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.64 HG11 ' CD2' ' A' ' 64' ' ' TRP . 16.4 t -136.77 159.88 37.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.483 ' N ' HG12 ' A' ' 34' ' ' VAL . 31.1 tt0 -134.82 126.65 29.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.4 t -71.1 162.32 29.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.85 ' HG3' HG23 ' A' ' 63' ' ' VAL . 9.9 mm100 -98.68 -34.53 10.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.958 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.67 -68.67 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.813 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.9 m -72.1 -25.1 61.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 63.16 38.72 10.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -105.84 149.76 26.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.826 ' O ' HG12 ' A' ' 20' ' ' VAL . 68.2 mt -85.45 131.66 34.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -136.22 116.12 13.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.965 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.59 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.1 m80 -60.04 125.79 25.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.592 ' NE2' ' H ' ' A' ' 32' ' ' GLN . 24.8 mt-30 -34.9 -31.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.508 ' N ' ' O ' ' A' ' 44' ' ' HIS . 32.2 t0 -91.09 -65.33 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.586 ' HB3' HG21 ' A' ' 21' ' ' VAL . 84.8 m -34.84 -40.02 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.845 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.434 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.9 t-80 -63.07 156.78 23.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.598 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 20.3 mttt -62.24 -68.29 0.85 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.564 0.697 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.598 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.8 Cg_endo -69.78 111.21 2.75 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.671 2.247 . . . . 0.0 112.332 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -47.57 101.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.447 HG11 HG21 ' A' ' 34' ' ' VAL . 38.2 t -81.31 137.42 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 75.7 p -92.06 -175.28 4.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.653 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.8 OUTLIER -86.56 -37.65 17.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -62.88 -40.39 97.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.87 ' O ' HD23 ' A' ' 62' ' ' LEU . 8.3 mt-10 -57.74 -46.49 84.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.653 HG22 ' O ' ' A' ' 54' ' ' ASP . 18.7 m -71.45 -28.25 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -73.51 -46.45 47.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.401 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 34.7 t0 -48.54 107.41 0.75 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.658 0.742 . . . . 0.0 110.801 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 59' ' ' ASP . 53.4 Cg_endo -69.77 -30.14 22.71 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.706 2.271 . . . . 0.0 112.333 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -91.26 23.96 3.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.87 HD23 ' O ' ' A' ' 56' ' ' GLU . 21.5 tp -115.46 131.54 56.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.929 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.85 HG23 ' HG3' ' A' ' 37' ' ' GLN . 12.2 p -98.75 103.44 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.64 ' CD2' HG11 ' A' ' 34' ' ' VAL . 19.9 t90 -82.1 146.88 29.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -137.8 151.92 48.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.935 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.457 ' O ' ' C ' ' A' ' 67' ' ' ALA . 26.9 p -100.27 139.19 36.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -31.92 -52.28 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.089 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 67' ' ' ALA . 7.0 mmt180 -36.74 -49.8 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 66' ' ' CYS . 25.6 p -88.85 -48.58 7.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.7 m -40.74 -47.86 2.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.11 -38.19 85.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 69' ' ' CYS . 53.9 mm-40 -69.55 -64.22 0.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 12.6 mtt -46.37 -36.31 6.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.522 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 20.6 mttp -64.11 -48.12 77.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 74' ' ' LYS . 66.4 mtt180 -34.31 -63.54 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.459 ' HG3' ' N ' ' A' ' 77' ' ' ALA . 15.8 ptp -62.74 -48.25 80.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.522 ' HB2' ' O ' ' A' ' 74' ' ' LYS . . . 42.24 44.1 3.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.129 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -44.12 138.43 2.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -95.76 167.49 11.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 81' ' ' GLN . 4.1 p30 -106.81 78.9 1.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 80' ' ' ASN . 30.0 mt-30 34.26 42.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.1 mmmt -64.93 -46.9 79.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.2 m -96.7 172.54 7.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -87.24 -124.37 1.87 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 102.95 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.378 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.0 t -161.84 128.7 3.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.7 t -67.51 106.42 2.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.496 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.3 m -142.52 109.36 5.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.909 0.385 . . . . 0.0 110.896 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.0 p -135.64 153.49 51.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.33 -140.61 32.22 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.6 p -172.27 128.08 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.842 0.353 . . . . 0.0 110.848 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 m -123.85 137.97 54.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.12 114.08 3.21 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.471 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 9' ' ' ASP . . . -149.29 138.14 21.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.785 0.326 . . . . 0.0 111.085 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 8' ' ' ALA . 82.1 m-20 -37.91 129.56 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.74 -33.34 75.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.841 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.557 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 2.8 t80 -149.78 -174.98 4.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 11' ' ' PHE . . . 74.99 28.23 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.067 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.443 ' HG2' ' N ' ' A' ' 14' ' ' GLU . 6.6 ptm -91.52 -42.73 10.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.857 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.443 ' N ' ' HG2' ' A' ' 13' ' ' MET . 14.9 mt-10 -71.99 -52.62 16.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 96.6 mmm -79.44 -44.07 22.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.32 49.23 38.82 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.643 ' O ' HD13 ' A' ' 33' ' ' LEU . 4.3 pp -112.51 13.07 20.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.812 0.339 . . . . 0.0 110.882 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.8 143.89 29.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.459 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.3 p -59.64 -176.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.774 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -106.06 -17.09 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.614 HG21 ' HB3' ' A' ' 47' ' ' CYS . 98.1 t -69.02 -75.28 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.4 p -91.38 -15.87 28.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.6 mtt-85 65.24 54.84 1.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.855 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -133.08 172.75 12.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.47 ' O ' HG13 ' A' ' 27' ' ' VAL . 2.8 mpp? -113.88 -18.73 11.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.2 m -46.0 121.95 3.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.47 HG13 ' O ' ' A' ' 25' ' ' MET . 12.6 m -136.36 177.32 6.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.166 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -174.09 167.76 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.9 m -47.04 122.57 4.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.845 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.42 -40.24 2.84 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.435 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -98.39 59.59 1.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.773 0.321 . . . . 0.0 110.885 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -91.8 -174.59 3.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.951 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.643 HD13 ' O ' ' A' ' 17' ' ' LEU . 6.9 mt -101.08 143.22 31.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.582 HG11 ' CD2' ' A' ' 64' ' ' TRP . 6.1 t -118.17 155.82 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -127.04 122.19 33.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 37' ' ' GLN . 34.6 t -70.94 162.74 28.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.539 ' O ' ' CD2' ' A' ' 40' ' ' HIS . 51.9 mm-40 -101.12 -37.01 8.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -74.77 -69.39 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -74.27 -23.42 59.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.539 ' CD2' ' O ' ' A' ' 37' ' ' GLN . 25.7 m-70 63.5 36.43 11.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.825 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -104.94 150.64 24.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.774 ' O ' HG12 ' A' ' 20' ' ' VAL . 62.6 mt -86.73 128.02 35.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -132.11 114.58 14.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.581 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.0 m80 -56.6 127.73 32.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.44 ' OE1' ' C ' ' A' ' 52' ' ' VAL . 11.8 mt-30 -38.77 -25.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 44' ' ' HIS . 3.5 t0 -96.82 -65.03 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.614 ' HB3' HG21 ' A' ' 21' ' ' VAL . 89.6 m -34.31 -39.86 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.412 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.8 t-80 -60.02 161.11 7.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.591 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 2.2 mmmp? -64.87 -67.97 0.91 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.571 0.7 . . . . 0.0 110.904 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.591 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.8 Cg_endo -69.72 109.63 2.35 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.662 2.241 . . . . 0.0 112.323 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -46.8 99.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.44 ' C ' ' OE1' ' A' ' 45' ' ' GLN . 25.6 t -75.36 139.95 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.8 p -105.43 173.8 6.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 55' ' ' LYS . 18.3 m-20 -67.39 -58.7 4.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 54' ' ' ASP . 43.5 mmtt -33.54 -37.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 54' ' ' ASP . 13.1 mm-40 -71.26 -74.92 0.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.54 HG12 HG22 ' A' ' 34' ' ' VAL . 28.6 m -47.45 -21.21 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -72.55 -43.58 63.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.447 ' HB3' ' CB ' ' A' ' 62' ' ' LEU . 10.2 t0 -58.7 110.14 2.4 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.609 0.719 . . . . 0.0 110.866 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 59' ' ' ASP . 53.1 Cg_endo -69.86 -36.76 9.97 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.317 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 61' ' ' ARG . 19.1 mtm105 -93.78 31.62 1.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.447 ' CB ' ' HB3' ' A' ' 59' ' ' ASP . 3.5 tp -105.78 138.71 41.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.513 HG13 ' HG3' ' A' ' 37' ' ' GLN . 91.9 t -98.39 101.05 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.582 ' CD2' HG11 ' A' ' 34' ' ' VAL . 23.7 t90 -87.96 151.64 22.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -142.05 147.27 36.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 67' ' ' ALA . 30.5 p -98.98 141.35 31.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -30.98 -52.54 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.091 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 67' ' ' ALA . 3.8 mmm180 -36.32 -51.94 0.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 72' ' ' GLN . 20.9 p -86.48 -49.8 7.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 27.2 m -39.64 -47.99 2.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.406 ' C ' ' HD3' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -59.63 -35.67 74.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 69' ' ' CYS . 30.2 mm-40 -68.84 -62.14 1.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 17.2 mtt -54.05 -40.87 67.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -62.99 136.77 58.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.6 ptp85 -116.84 -27.86 6.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 81.8 mmm -64.78 -12.65 49.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -96.51 42.12 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -115.3 147.91 39.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -128.03 170.71 12.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 62.64 52.51 2.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -125.88 132.93 52.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.96 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -125.48 85.76 2.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.9 t -131.52 40.71 3.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.841 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.412 ' HA2' ' HD2' ' A' ' 85' ' ' PRO . . . 77.36 96.38 0.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.496 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.412 ' HD2' ' HA2' ' A' ' 84' ' ' GLY . 54.0 Cg_endo -69.7 -0.42 6.83 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.727 2.284 . . . . 0.0 112.356 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 95.1 p -106.1 106.54 17.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.5 t -124.9 121.41 34.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.171 -0.794 . . . . 0.0 112.489 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t -171.48 122.23 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 0.0 110.838 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t -153.5 118.69 5.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.68 84.53 0.34 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.509 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.7 t -103.55 114.76 29.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.861 0.362 . . . . 0.0 110.871 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -59.41 122.4 13.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.43 -132.17 38.85 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.472 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -161.98 117.57 1.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 111.093 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -70.92 153.05 43.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.83 161.59 30.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -157.13 152.81 26.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -46.82 -44.77 19.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.439 ' O ' ' C ' ' A' ' 14' ' ' GLU . 0.9 OUTLIER -40.23 -46.44 2.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 13' ' ' MET . 6.3 mm-40 -34.65 -66.99 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.2 mmt -82.96 -47.81 11.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.4 68.27 1.49 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.421 HD23 ' N ' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -125.48 23.27 7.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.796 0.332 . . . . 0.0 110.885 -179.918 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.47 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -119.56 142.6 48.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.082 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.476 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.8 p -63.44 179.98 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.782 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -104.47 -16.01 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.61 HG21 ' HB3' ' A' ' 47' ' ' CYS . 86.9 t -70.39 -75.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.1 p -90.54 -12.17 37.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 62.78 53.62 2.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -132.06 167.65 19.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.468 ' SD ' ' HB2' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -111.85 -15.59 13.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.2 t -48.82 142.93 5.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.191 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.2 m -154.76 175.17 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.05 167.36 3.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 m -50.0 122.74 7.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.31 -32.56 5.15 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.448 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -114.04 69.04 0.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.33 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -93.99 179.12 5.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.594 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 10.1 mt -97.9 159.31 15.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.675 HG22 ' CG1' ' A' ' 57' ' ' VAL . 4.5 t -138.26 155.33 28.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.079 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -128.07 121.84 30.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.488 ' SG ' ' N ' ' A' ' 37' ' ' GLN . 10.8 t -69.27 163.2 25.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.633 ' HG3' HG13 ' A' ' 63' ' ' VAL . 70.9 mm-40 -98.94 -40.13 8.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.16 -71.24 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.0 m -70.04 -24.92 63.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.531 ' CE1' ' O ' ' A' ' 37' ' ' GLN . 33.5 m80 63.53 34.61 12.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -102.65 153.8 19.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.782 ' O ' HG12 ' A' ' 20' ' ' VAL . 64.9 mt -89.95 129.53 36.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.404 ' CD1' ' HD2' ' A' ' 48' ' ' HIS . 28.6 m-85 -133.43 116.58 16.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.594 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.2 m80 -61.24 126.22 26.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.889 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 44' ' ' HIS . 13.2 mt-30 -34.35 -33.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 44' ' ' HIS . 21.5 t0 -89.11 -65.28 1.03 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.61 ' HB3' HG21 ' A' ' 21' ' ' VAL . 94.2 m -35.25 -38.21 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.418 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.8 t-80 -63.73 154.53 32.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.817 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.607 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 0.2 OUTLIER -60.23 -69.0 0.62 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.584 0.707 . . . . 0.0 110.921 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.607 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.3 Cg_endo -69.81 112.13 3.0 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -47.53 103.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.494 HG12 ' N ' ' A' ' 53' ' ' THR . 98.7 t -77.1 156.98 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.494 ' N ' HG12 ' A' ' 52' ' ' VAL . 34.7 p -107.94 -176.6 3.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.147 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.507 ' O ' ' ND2' ' A' ' 58' ' ' ASN . 9.8 t0 -92.37 -29.6 16.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.3 mttt -70.43 -37.38 74.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.686 ' O ' HD23 ' A' ' 62' ' ' LEU . 5.3 mm-40 -63.24 -60.5 3.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.844 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.675 ' CG1' HG22 ' A' ' 34' ' ' VAL . 20.3 m -55.1 -33.18 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.092 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 54' ' ' ASP . 26.4 m-20 -68.47 -39.44 81.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.488 ' HB3' ' CB ' ' A' ' 62' ' ' LEU . 4.2 m-20 -51.06 107.43 0.82 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.648 0.737 . . . . 0.0 110.915 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -29.7 23.59 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.67 2.246 . . . . 0.0 112.342 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.415 ' HG3' ' H ' ' A' ' 61' ' ' ARG . 3.0 ppt_? -100.6 26.65 6.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.686 HD23 ' O ' ' A' ' 56' ' ' GLU . 15.1 tp -110.36 134.52 52.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.633 HG13 ' HG3' ' A' ' 37' ' ' GLN . 81.1 t -96.45 102.03 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.502 ' CD2' HG11 ' A' ' 34' ' ' VAL . 62.8 t90 -91.01 132.43 36.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.948 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -121.66 148.43 44.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.914 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.466 ' O ' ' C ' ' A' ' 67' ' ' ALA . 30.7 p -98.74 142.05 30.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.876 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.466 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -32.2 -51.25 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.405 ' HB2' ' SG ' ' A' ' 66' ' ' CYS . 9.2 mmt180 -37.86 -50.03 1.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 72' ' ' GLN . 21.5 p -89.0 -50.34 6.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 89.1 m -39.9 -46.28 1.99 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -59.34 -36.6 75.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 69' ' ' CYS . 87.9 mt-30 -68.18 -58.61 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 22.1 mtt -51.56 -36.18 44.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.9 mttp -47.46 -53.67 13.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.0 mtp180 -38.07 -46.95 1.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.8 mtt 53.56 46.24 26.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 78' ' ' GLN . . . -101.89 50.06 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 77' ' ' ALA . 8.7 mt-30 36.48 44.03 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt -95.78 95.38 8.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -127.49 125.01 39.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.954 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -107.29 161.4 14.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.71 143.08 54.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.7 m -111.29 139.3 46.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -118.27 -97.31 1.84 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.539 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -1.61 8.78 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.687 2.258 . . . . 0.0 112.344 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.47 159.98 25.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.2 t -68.45 156.54 37.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.848 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.132 -0.816 . . . . 0.0 112.507 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m -56.76 133.33 54.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.872 0.368 . . . . 0.0 110.868 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.6 m -135.73 117.3 14.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.906 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.64 -148.1 7.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.508 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 t -135.89 173.32 11.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.871 0.367 . . . . 0.0 110.842 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 m -129.29 42.4 3.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.07 63.63 0.27 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.478 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -47.83 -46.33 30.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.798 0.333 . . . . 0.0 111.062 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -39.78 138.07 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -121.54 98.91 6.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -79.12 -72.17 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -106.59 -0.47 23.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -31.48 72.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -42.46 -66.1 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.491 ' HB2' ' CD2' ' A' ' 17' ' ' LEU . 5.0 mtp -71.23 -25.8 62.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.27 58.18 8.33 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.439 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.491 ' CD2' ' HB2' ' A' ' 15' ' ' MET . 0.4 OUTLIER -115.73 25.36 10.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.37 . . . . 0.0 110.956 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.428 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -114.06 138.95 49.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.062 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.485 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.3 p -63.51 -176.51 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.831 HG12 ' O ' ' A' ' 42' ' ' LEU . 1.3 p -105.9 -21.13 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.157 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.547 HG21 ' HB3' ' A' ' 47' ' ' CYS . 58.6 t -65.82 -75.24 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.116 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 16.9 p -90.6 -14.43 32.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.7 mtm-85 63.91 53.89 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.427 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 53.8 mm-40 -135.32 171.39 14.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -113.93 -9.59 13.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.0 m -52.43 118.23 3.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.9 m -135.12 -178.12 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 30' ' ' GLY . . . -164.66 157.99 17.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.078 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 28' ' ' ALA . 68.6 m -35.7 -33.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 28' ' ' ALA . . . -103.86 -46.28 1.4 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.482 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 -88.43 80.6 7.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.754 0.311 . . . . 0.0 110.928 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -99.6 -175.82 3.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.969 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.564 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 11.5 mt -105.83 161.24 14.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.946 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.595 HG22 HG23 ' A' ' 57' ' ' VAL . 16.1 t -140.28 155.35 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.406 ' N ' HG12 ' A' ' 34' ' ' VAL . 22.8 tt0 -126.12 130.69 51.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.415 ' SG ' ' N ' ' A' ' 37' ' ' GLN . 42.0 t -75.91 163.68 26.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.878 ' HG3' HG13 ' A' ' 63' ' ' VAL . 10.8 mm100 -102.72 -34.33 9.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -77.11 -62.36 1.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 m -82.3 -33.44 29.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.408 ' HA ' ' O ' ' A' ' 36' ' ' CYS . 12.8 m80 75.0 36.6 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -103.01 152.32 21.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.831 ' O ' HG12 ' A' ' 20' ' ' VAL . 71.5 mt -87.13 128.0 35.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.402 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 28.6 m-85 -134.66 117.55 16.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.564 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.4 m80 -60.67 128.37 36.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.539 ' OE1' HG12 ' A' ' 52' ' ' VAL . 15.0 mt-30 -38.89 -25.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 44' ' ' HIS . 14.7 t70 -96.82 -63.78 1.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.547 ' HB3' HG21 ' A' ' 21' ' ' VAL . 92.4 m -35.79 -40.28 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.8 t-80 -61.77 157.19 18.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.612 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 13.3 mmtp -61.24 -68.69 0.73 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.573 0.701 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.612 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.9 Cg_endo -69.76 109.05 2.22 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.714 2.276 . . . . 0.0 112.362 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -46.71 103.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.539 HG12 ' OE1' ' A' ' 45' ' ' GLN . 26.7 t -75.92 123.49 32.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.7 p -85.68 159.99 19.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 55' ' ' LYS . 5.6 t0 -60.33 -58.32 9.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 54' ' ' ASP . 10.8 tttt -32.96 -37.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.854 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 54' ' ' ASP . 4.2 mm-40 -77.64 -57.75 3.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.595 HG23 HG22 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -46.76 -33.26 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.14 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -68.17 -55.01 13.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -41.28 101.83 0.25 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.621 0.724 . . . . 0.0 110.881 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -32.27 18.93 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.699 2.266 . . . . 0.0 112.341 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.8 mtt85 -95.81 29.46 2.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.2 tp -105.07 125.46 51.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.878 HG13 ' HG3' ' A' ' 37' ' ' GLN . 96.2 t -83.31 100.96 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.503 ' CD2' HG11 ' A' ' 34' ' ' VAL . 16.5 t90 -87.61 147.28 25.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -135.3 144.38 46.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.465 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 30.6 p -99.28 143.23 29.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -34.66 -47.94 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.414 ' HB2' ' SG ' ' A' ' 66' ' ' CYS . 11.3 mmt180 -39.86 -49.91 2.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.465 ' SG ' ' O ' ' A' ' 66' ' ' CYS . 15.0 p -86.88 -47.22 9.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 50.8 m -41.35 -45.15 2.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 72' ' ' GLN . 9.2 ptm180 -59.12 -35.73 73.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 69' ' ' CYS . 8.5 mm100 -69.45 -62.55 1.33 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 26.3 mtt -45.32 -37.72 5.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -67.1 137.31 56.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 76' ' ' MET . 17.7 ptt180 -86.1 -39.86 16.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.441 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 54.4 mmm -88.01 30.37 0.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -129.81 41.08 3.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.081 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -129.46 149.68 51.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 33.9 mtmt -127.36 110.65 13.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.9 p30 44.06 41.76 4.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -89.43 145.71 25.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -95.86 41.46 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.8 m -136.74 167.74 20.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -158.72 88.99 0.11 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.528 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 168.93 20.07 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 2.262 . . . . 0.0 112.335 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.3 p -96.6 155.95 16.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 t -147.28 172.07 14.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.832 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.139 -0.812 . . . . 0.0 112.465 179.944 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.602 ' O ' HD12 ' A' ' 17' ' ' LEU . 4.6 pp . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.831 0.348 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.438 ' HB2' ' HG3' ' A' ' 25' ' ' MET . . . -101.36 149.89 23.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.481 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.7 p -62.43 -179.32 0.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.769 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -104.09 -17.48 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.606 HG21 ' HB3' ' A' ' 47' ' ' CYS . 95.3 t -69.54 -75.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.092 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.1 p -91.71 -12.25 34.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.1 mtp180 62.46 54.79 2.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 -132.44 175.07 9.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.438 ' HG3' ' HB2' ' A' ' 18' ' ' ALA . 2.5 mpp? -118.14 -11.96 10.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.0 m -51.2 122.68 8.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.6 m -137.69 165.89 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.1 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.849 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.877 0.37 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.566 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 12.7 mt -109.16 156.52 19.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.492 HG22 HG12 ' A' ' 57' ' ' VAL . 4.7 t -137.47 151.82 26.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.059 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -120.98 126.42 49.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 23.1 t -71.31 161.9 30.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.521 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 25.8 mm-40 -98.78 -26.65 14.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.78 -70.57 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.9 p -73.08 -22.79 60.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 62.66 34.39 14.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -100.21 151.24 21.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.769 ' O ' HG12 ' A' ' 20' ' ' VAL . 55.7 mt -85.1 129.87 34.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -134.14 114.4 13.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.566 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.6 m80 -60.01 124.39 20.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.852 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.517 ' OE1' HG12 ' A' ' 52' ' ' VAL . 12.1 mt-30 -35.58 -30.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 44' ' ' HIS . 39.6 t0 -90.23 -64.85 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.606 ' HB3' HG21 ' A' ' 21' ' ' VAL . 86.2 m -36.38 -39.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -63.55 155.02 30.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.608 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 2.5 mtpt -60.44 -68.43 0.78 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.602 0.715 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.608 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.3 Cg_endo -69.81 107.6 1.9 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.717 2.278 . . . . 0.0 112.322 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -46.6 101.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.517 HG12 ' OE1' ' A' ' 45' ' ' GLN . 19.5 t -74.26 134.54 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.404 ' O ' ' OE1' ' A' ' 45' ' ' GLN . 35.1 p -89.89 158.79 17.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.502 ' O ' HG22 ' A' ' 57' ' ' VAL . 11.1 t0 -63.9 -35.54 80.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.849 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -64.79 -39.55 93.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.561 ' O ' HD23 ' A' ' 62' ' ' LEU . 22.7 mt-10 -59.22 -54.52 45.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 54' ' ' ASP . 23.0 m -56.74 -37.74 54.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 -65.3 -47.43 76.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -42.04 102.31 0.27 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.641 0.734 . . . . 0.0 110.83 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -27.79 25.86 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.666 2.244 . . . . 0.0 112.351 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -100.18 25.65 7.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.561 HD23 ' O ' ' A' ' 56' ' ' GLU . 17.9 tp -106.47 137.06 45.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.965 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.587 ' O ' HG13 ' A' ' 63' ' ' VAL . 7.7 p -99.19 101.81 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 12.4 t90 -89.24 133.12 34.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.521 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 10.1 m-85 -134.02 117.8 17.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.2 p -65.57 144.17 57.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -39.32 -56.19 1.59 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.069 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 67' ' ' ALA . 13.3 mmt180 -35.1 -38.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 88.7 m -88.29 -50.78 6.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 34.2 m . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 -179.922 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.524 ' O ' HD12 ' A' ' 17' ' ' LEU . 4.6 pp . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.818 0.342 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.408 ' HB1' ' O ' ' A' ' 24' ' ' GLN . . . -90.08 151.13 21.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.08 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.494 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -64.67 -177.38 0.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.729 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -104.77 -18.96 6.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.645 HG21 ' HB3' ' A' ' 47' ' ' CYS . 86.0 t -67.42 -76.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.405 ' C ' ' HD2' ' A' ' 23' ' ' ARG . 21.0 p -92.24 -6.62 50.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.471 ' HD2' ' N ' ' A' ' 23' ' ' ARG . 2.4 mpt_? 56.12 55.05 7.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.408 ' O ' ' HB1' ' A' ' 18' ' ' ALA . 16.3 mt-30 -134.98 -179.49 5.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 37.9 mtm -122.95 -8.93 8.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.2 m -53.15 118.25 3.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.9 m -132.18 -176.14 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.081 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.08 179.872 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.475 ' HB2' ' NE2' ' A' ' 45' ' ' GLN . 14.5 mm100 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.825 0.345 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.577 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 4.9 mt -103.61 152.81 21.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.566 HG11 ' CD2' ' A' ' 64' ' ' TRP . 21.2 t -128.53 158.1 40.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.468 ' N ' HG12 ' A' ' 34' ' ' VAL . 49.2 tt0 -128.66 130.46 47.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.9 t -75.61 162.32 28.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.595 ' HG3' HG23 ' A' ' 63' ' ' VAL . 1.7 mm100 -98.89 -29.15 13.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -86.52 -70.05 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.6 p -72.93 -24.02 60.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 62.48 36.35 14.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.827 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -102.48 145.46 29.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.729 ' O ' HG12 ' A' ' 20' ' ' VAL . 42.4 mt -80.05 129.92 34.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -133.48 114.62 13.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.914 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.577 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.9 m80 -58.68 123.63 17.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.807 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.621 HE21 HG11 ' A' ' 57' ' ' VAL . 88.0 mt-30 -34.98 -31.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 44' ' ' HIS . 14.3 t70 -89.45 -63.55 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.645 ' HB3' HG21 ' A' ' 21' ' ' VAL . 79.8 m -36.07 -42.65 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -60.04 156.56 14.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.603 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 21.6 mtmt -60.54 -68.88 0.66 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.538 0.685 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.603 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 54.0 Cg_endo -69.75 111.0 2.69 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.714 2.276 . . . . 0.0 112.38 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -47.1 102.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.493 HG11 HG21 ' A' ' 34' ' ' VAL . 22.2 t -79.18 133.29 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 74.4 p -105.11 165.6 10.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 55' ' ' LYS . 11.0 m-20 -57.66 -53.54 57.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.456 ' N ' ' HD3' ' A' ' 55' ' ' LYS . 6.9 mmtt -33.73 -44.08 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -64.11 -74.03 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.621 HG11 HE21 ' A' ' 45' ' ' GLN . 5.2 m -42.14 -35.24 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.113 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 38.8 m-20 -63.7 -46.81 83.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -56.47 109.2 1.53 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.624 0.726 . . . . 0.0 110.839 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -41.47 4.24 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.66 2.24 . . . . 0.0 112.396 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -86.9 30.17 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.5 tp -108.17 130.99 55.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.659 ' O ' HG13 ' A' ' 63' ' ' VAL . 10.0 p -95.97 103.15 14.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.566 ' CD2' HG11 ' A' ' 34' ' ' VAL . 27.2 t90 -89.13 131.37 35.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -128.03 126.53 41.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 67' ' ' ALA . 15.8 p -77.6 142.4 38.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -36.62 -55.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 67' ' ' ALA . 19.7 mmt-85 -34.36 -43.11 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 88.4 m -83.39 -48.31 10.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.9 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.756 0.313 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' A' ' 24' ' ' GLN . . . -103.92 142.96 33.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.479 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.4 p -58.91 -179.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.787 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -103.86 -15.61 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 179.861 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.605 HG21 ' HB3' ' A' ' 47' ' ' CYS . 99.8 t -70.79 -75.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.104 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.3 p -90.83 -14.14 32.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.6 mtp85 64.05 54.9 1.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.404 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 37.3 mt-30 -134.87 172.76 12.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.5 mtm -114.94 -7.16 12.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 99.7 m -54.63 129.41 36.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.8 m -144.94 175.49 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.175 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 179.892 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.8 0.333 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.579 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 9.7 mt -105.72 166.35 10.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.524 HG22 ' CG1' ' A' ' 57' ' ' VAL . 14.5 t -145.55 149.24 16.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -119.97 126.62 51.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 35.9 t -71.58 162.86 28.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.619 ' HG3' HG23 ' A' ' 63' ' ' VAL . 1.8 mm100 -99.07 -28.85 13.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -87.6 -70.28 0.64 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.5 p -73.03 -22.0 60.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 61.63 31.43 18.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -97.33 148.94 22.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.787 ' O ' HG12 ' A' ' 20' ' ' VAL . 72.2 mt -84.21 129.57 34.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -134.4 114.4 12.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.579 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.5 m80 -59.27 124.37 19.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 44' ' ' HIS . 16.2 mt-30 -34.92 -31.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 44' ' ' HIS . 24.9 t70 -89.98 -65.28 1.03 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.605 ' HB3' HG21 ' A' ' 21' ' ' VAL . 92.8 m -35.05 -39.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.419 ' O ' ' O ' ' A' ' 46' ' ' ASP . 2.1 t-80 -63.24 153.7 33.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.604 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 10.3 mptt -58.61 -68.37 0.72 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.634 0.73 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.604 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.9 Cg_endo -69.73 112.19 3.01 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.672 2.248 . . . . 0.0 112.366 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -49.62 100.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.401 HG13 ' OE1' ' A' ' 56' ' ' GLU . 33.1 t -77.8 130.53 36.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.9 p -96.4 163.09 13.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.435 ' HA ' HG22 ' A' ' 57' ' ' VAL . 2.9 m-20 -63.2 -48.5 78.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -42.41 -25.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.659 ' O ' HD22 ' A' ' 62' ' ' LEU . 38.2 mt-10 -81.81 -69.9 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.524 ' CG1' HG22 ' A' ' 34' ' ' VAL . 19.0 m -50.8 -27.05 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.181 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -65.02 -38.41 90.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 62' ' ' LEU . 8.6 t70 -61.57 117.86 31.89 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.628 0.728 . . . . 0.0 110.823 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -37.15 9.77 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -101.81 38.2 1.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.659 HD22 ' O ' ' A' ' 56' ' ' GLU . 1.9 tp -106.79 123.31 47.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.619 HG23 ' HG3' ' A' ' 37' ' ' GLN . 11.0 p -85.72 109.47 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.428 ' CD2' HG11 ' A' ' 34' ' ' VAL . 28.2 t90 -99.87 129.42 45.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -124.43 120.08 31.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 67' ' ' ALA . 15.9 p -74.64 141.22 44.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.482 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -33.54 -59.57 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.482 ' C ' ' O ' ' A' ' 67' ' ' ALA . 15.5 mmt180 -30.68 -45.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 83.9 m -83.86 -49.56 8.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.2 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.49 ' O ' ' CD1' ' A' ' 33' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.796 0.331 . . . . 0.0 110.875 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.661 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -124.0 144.97 49.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.468 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -69.55 -177.92 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.796 HG12 ' O ' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -104.73 -21.26 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.575 HG21 ' HB3' ' A' ' 47' ' ' CYS . 88.1 t -64.37 -75.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.432 ' C ' ' HD3' ' A' ' 23' ' ' ARG . 16.7 p -91.06 -6.07 54.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.432 ' HD3' ' C ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER 55.38 54.44 8.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -134.9 172.94 12.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.629 ' HG3' ' HB2' ' A' ' 18' ' ' ALA . 2.2 mpt? -114.21 -15.74 12.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.0 m -44.15 123.85 3.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.495 HG13 ' O ' ' A' ' 25' ' ' MET . 13.4 m -140.56 175.91 5.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.131 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.865 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.477 ' HB2' ' NE2' ' A' ' 45' ' ' GLN . 21.5 mt-30 . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.824 0.345 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.575 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 10.1 mt -97.27 160.59 14.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.701 HG11 ' CD2' ' A' ' 64' ' ' TRP . 22.0 t -140.35 160.94 25.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.525 ' N ' HG12 ' A' ' 34' ' ' VAL . 49.5 tt0 -134.07 134.29 42.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 40' ' ' HIS . 42.8 t -79.08 163.24 25.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.978 ' HG3' HG23 ' A' ' 63' ' ' VAL . 11.4 mm-40 -97.57 -35.85 10.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -80.49 -69.65 0.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.29 -26.75 63.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.489 ' CD2' ' O ' ' A' ' 37' ' ' GLN . 34.2 m-70 63.14 39.58 9.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -106.7 150.18 26.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.796 ' O ' HG12 ' A' ' 20' ' ' VAL . 52.8 mt -84.99 127.18 34.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.403 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 30.2 m-85 -132.98 116.62 16.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.575 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.7 m80 -59.67 129.22 40.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.889 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.477 ' NE2' ' HB2' ' A' ' 32' ' ' GLN . 63.2 mt-30 -39.66 -25.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 44' ' ' HIS . 0.6 OUTLIER -97.16 -64.74 1.01 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.575 ' HB3' HG21 ' A' ' 21' ' ' VAL . 95.3 m -36.62 -40.42 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.563 ' CE1' ' HA ' ' A' ' 66' ' ' CYS . 1.9 t-80 -62.6 157.13 21.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.594 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 4.1 mptp? -59.92 -68.09 0.85 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.521 0.676 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.594 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 54.0 Cg_endo -69.75 109.51 2.33 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.72 2.28 . . . . 0.0 112.34 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -50.02 101.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.7 t -82.82 136.54 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 46.1 p -98.25 169.02 9.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 55' ' ' LYS . 8.5 p-10 -71.66 -57.85 4.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 54' ' ' ASP . 10.8 ttmt -35.24 -36.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 54' ' ' ASP . 23.1 mm-40 -77.14 -60.56 2.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.407 HG23 HG22 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -45.96 -29.95 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 59' ' ' ASP . 50.2 m-20 -64.04 -54.78 28.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.458 ' HB3' ' CB ' ' A' ' 62' ' ' LEU . 11.2 t0 -36.44 111.03 0.48 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.586 0.708 . . . . 0.0 110.898 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 59' ' ' ASP . 54.2 Cg_endo -69.68 -37.93 8.68 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -94.18 32.3 1.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.458 ' CB ' ' HB3' ' A' ' 59' ' ' ASP . 4.9 tp -107.38 124.42 49.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.978 HG23 ' HG3' ' A' ' 37' ' ' GLN . 2.5 p -88.43 109.52 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.164 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.701 ' CD2' HG11 ' A' ' 34' ' ' VAL . 40.7 t90 -96.07 146.9 24.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.959 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.405 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 38.2 m-85 -134.22 155.43 50.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.563 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 22.7 p -105.7 138.04 42.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.491 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -30.45 -54.94 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 67' ' ' ALA . 2.5 mmp_? -33.7 -51.11 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 26.2 p -88.11 -44.4 10.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -179.97 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.812 0.339 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.611 ' HB2' ' HG3' ' A' ' 25' ' ' MET . . . -117.61 141.51 48.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.486 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.3 p -62.62 -178.62 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.844 HG12 ' O ' ' A' ' 42' ' ' LEU . 1.2 p -104.9 -21.44 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.582 HG21 ' HB3' ' A' ' 47' ' ' CYS . 82.3 t -64.16 -75.04 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.4 p -90.9 -11.2 39.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 61.31 52.26 3.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -133.06 172.96 11.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.611 ' HG3' ' HB2' ' A' ' 18' ' ' ALA . 1.8 mpt? -115.46 -10.71 11.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.7 m -50.4 122.32 6.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.123 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.0 m -137.86 -178.1 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.889 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.839 0.352 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.583 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 8.9 mt -98.69 170.18 8.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.497 HG11 ' CD2' ' A' ' 64' ' ' TRP . 14.0 t -151.32 154.36 8.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -126.84 127.63 45.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.6 t -70.33 163.24 27.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.649 ' HG3' HG13 ' A' ' 63' ' ' VAL . 7.2 mm-40 -103.45 -32.65 9.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.956 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.436 ' O ' ' CD2' ' A' ' 40' ' ' HIS . 2.1 tp10 -78.62 -59.39 2.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.44 ' C ' ' CD2' ' A' ' 40' ' ' HIS . 2.0 m -84.2 -32.27 24.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.44 ' CD2' ' C ' ' A' ' 39' ' ' CYS . 17.3 m-70 74.13 37.71 0.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -107.0 151.29 25.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.844 ' O ' HG12 ' A' ' 20' ' ' VAL . 93.6 mt -86.12 128.87 34.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.945 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.409 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 27.1 m-85 -134.52 116.13 14.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.583 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.4 m80 -60.34 125.62 24.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.826 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.466 ' HG2' ' CG1' ' A' ' 52' ' ' VAL . 88.5 mt-30 -35.84 -29.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 44' ' ' HIS . 3.4 t70 -91.63 -64.56 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.582 ' HB3' HG21 ' A' ' 21' ' ' VAL . 84.8 m -36.9 -38.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.494 ' CE1' ' HA ' ' A' ' 66' ' ' CYS . 1.8 t-80 -63.9 159.92 18.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.596 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 0.2 OUTLIER -63.95 -68.06 0.9 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.538 0.685 . . . . 0.0 110.909 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.596 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 54.0 Cg_endo -69.75 110.07 2.46 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.695 2.264 . . . . 0.0 112.36 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -48.45 103.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.466 ' CG1' ' HG2' ' A' ' 45' ' ' GLN . 86.4 t -76.56 128.7 37.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 58.7 p -94.36 166.61 11.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -65.11 -57.64 8.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 54' ' ' ASP . 3.4 ttmm -33.52 -38.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 54' ' ' ASP . 15.0 mt-10 -74.86 -61.61 1.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.438 ' HB ' ' NE2' ' A' ' 45' ' ' GLN . 0.3 OUTLIER -44.35 -32.52 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -62.6 -55.7 24.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.456 ' HB3' ' CB ' ' A' ' 62' ' ' LEU . 6.7 t70 -41.86 102.67 0.27 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.596 0.712 . . . . 0.0 110.856 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -30.73 21.74 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.679 2.253 . . . . 0.0 112.366 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -100.4 29.27 4.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.456 ' CB ' ' HB3' ' A' ' 59' ' ' ASP . 12.9 tp -99.61 133.17 44.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.649 HG13 ' HG3' ' A' ' 37' ' ' GLN . 86.7 t -90.39 97.02 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.497 ' CD2' HG11 ' A' ' 34' ' ' VAL . 27.5 t90 -85.45 144.71 27.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -132.88 145.29 50.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.938 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.494 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 26.0 p -98.98 140.63 32.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.87 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.474 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -28.83 -56.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.073 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 67' ' ' ALA . 8.5 mmt180 -33.4 -53.24 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 21.3 p -85.3 -49.9 7.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.2 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.766 ' O ' HD13 ' A' ' 33' ' ' LEU . 4.6 pp . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.814 0.34 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.416 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -86.27 146.45 26.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.075 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.489 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -66.38 -174.4 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.775 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.7 OUTLIER -108.77 -18.58 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.149 179.93 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.526 HG21 ' HB3' ' A' ' 47' ' ' CYS . 90.1 t -68.72 -75.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.4 p -89.45 -15.33 33.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 66.08 50.27 1.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -129.09 171.75 12.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.483 ' HB3' HD11 ' A' ' 17' ' ' LEU . 66.0 mtm -118.32 -4.27 10.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.1 m -59.32 121.37 11.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.8 m -132.66 -179.3 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.852 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.825 0.345 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.766 HD13 ' O ' ' A' ' 17' ' ' LEU . 6.5 mt -100.88 158.18 16.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.406 HG11 ' CD2' ' A' ' 64' ' ' TRP . 3.1 t -130.66 155.9 42.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -128.81 119.83 25.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 24.9 t -65.17 161.31 19.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.543 ' N ' ' CD ' ' A' ' 37' ' ' GLN . 1.5 mm100 -99.5 -26.92 13.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -87.23 -69.13 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.5 p -74.36 -21.64 59.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 62.42 32.82 16.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -97.23 150.1 21.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.775 ' O ' HG12 ' A' ' 20' ' ' VAL . 68.4 mt -87.69 126.64 35.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -131.75 121.65 24.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.582 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.0 m80 -64.31 128.54 36.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.883 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -38.81 -25.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.95 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 44' ' ' HIS . 29.8 t70 -96.55 -62.9 1.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.526 ' HB3' HG21 ' A' ' 21' ' ' VAL . 87.6 m -36.14 -40.92 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -60.9 155.3 20.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.611 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 13.5 mtmm -59.52 -69.07 0.59 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.596 0.712 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.611 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.7 Cg_endo -69.76 112.77 3.17 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -47.85 103.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 36.7 t -77.69 131.43 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.3 p -85.36 -176.18 6.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.159 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.507 ' O ' ' ND2' ' A' ' 58' ' ' ASN . 19.6 m-20 -89.06 -32.01 17.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -70.12 -38.25 75.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.565 ' O ' HD23 ' A' ' 62' ' ' LEU . 6.1 mm-40 -58.68 -61.04 2.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.0 m -56.74 -34.0 42.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 54' ' ' ASP . 1.9 m-80 -63.56 -57.96 8.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.429 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 3.7 t70 -41.2 101.85 0.25 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.55 0.69 . . . . 0.0 110.89 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 59' ' ' ASP . 53.7 Cg_endo -69.76 -10.66 29.1 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.675 2.25 . . . . 0.0 112.318 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.29 5.75 40.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.857 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.565 HD23 ' O ' ' A' ' 56' ' ' GLU . 16.1 tp -97.19 138.83 34.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.553 ' CG2' ' CE2' ' A' ' 65' ' ' TYR . 1.9 p -100.37 107.56 21.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.406 ' CD2' HG11 ' A' ' 34' ' ' VAL . 7.6 t90 -87.04 133.26 33.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.553 ' CE2' ' CG2' ' A' ' 63' ' ' VAL . 13.6 m-85 -133.54 115.11 14.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 18.2 p -65.51 148.09 52.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.459 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -38.6 -56.81 1.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.459 ' C ' ' O ' ' A' ' 67' ' ' ALA . 6.0 mmt180 -33.45 -41.81 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 85.8 m -87.76 -47.73 8.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.0 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 -179.946 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.41 ' O ' HD13 ' A' ' 33' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.844 0.354 . . . . 0.0 110.952 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -103.81 149.7 24.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.082 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.477 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -64.27 -176.44 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.715 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -106.36 -18.43 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.12 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.522 HG21 ' HB3' ' A' ' 47' ' ' CYS . 68.3 t -68.51 -75.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.7 p -90.92 -13.17 34.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 63.05 53.33 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -130.51 175.93 8.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.5 mtm -123.33 0.47 8.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.0 m -63.52 120.83 12.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.15 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.2 m -135.54 168.96 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.087 179.863 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.81 0.338 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.58 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 11.2 mt -103.55 155.28 18.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.543 HG11 ' CD2' ' A' ' 64' ' ' TRP . 10.6 t -133.0 159.66 43.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.459 ' N ' HG12 ' A' ' 34' ' ' VAL . 8.7 tt0 -129.79 125.65 36.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 44.6 t -72.06 159.95 33.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.426 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 21.3 mm-40 -98.34 -28.25 13.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -86.55 -70.51 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.2 p -71.91 -22.94 61.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 62.65 36.18 13.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -103.69 150.33 24.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.715 ' O ' HG12 ' A' ' 20' ' ' VAL . 25.0 mt -84.52 128.6 34.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.976 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.431 ' CE1' HG11 ' A' ' 20' ' ' VAL . 23.6 m-85 -131.91 118.8 20.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.58 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.5 m80 -64.58 123.59 19.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.883 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 44' ' ' HIS . 91.4 mt-30 -35.38 -30.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.512 ' N ' ' O ' ' A' ' 44' ' ' HIS . 38.0 t70 -89.9 -62.54 1.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.522 ' HB3' HG21 ' A' ' 21' ' ' VAL . 90.7 m -38.94 -38.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.488 ' CE1' ' HA ' ' A' ' 66' ' ' CYS . 1.8 t-160 -64.49 166.77 7.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.566 ' HG3' ' N ' ' A' ' 50' ' ' PRO . 1.2 tppt? -72.82 -63.25 1.14 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.591 0.71 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.566 ' N ' ' HG3' ' A' ' 49' ' ' LYS . 54.3 Cg_endo -69.75 106.85 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.707 2.272 . . . . 0.0 112.342 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -46.0 98.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 50' ' ' PRO . 38.5 t -83.55 143.46 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 67.9 p -113.75 175.7 5.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.448 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 0.5 OUTLIER -69.77 -54.73 12.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.847 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.5 tttm -39.04 -30.24 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 54' ' ' ASP . 10.5 mm-40 -72.75 -72.4 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.425 ' CG1' HG22 ' A' ' 34' ' ' VAL . 15.1 m -47.46 -29.19 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -61.67 -43.24 99.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.402 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 5.6 t70 -62.74 110.69 3.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.57 0.7 . . . . 0.0 110.871 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 59' ' ' ASP . 54.1 Cg_endo -69.77 -38.12 8.21 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.667 2.244 . . . . 0.0 112.367 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 76.2 mtm-85 -85.35 27.77 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 tp -105.22 142.8 34.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.524 ' CG1' ' CE2' ' A' ' 65' ' ' TYR . 92.9 t -107.2 106.74 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.543 ' CD2' HG11 ' A' ' 34' ' ' VAL . 10.0 t90 -96.37 133.88 40.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.524 ' CE2' ' CG1' ' A' ' 63' ' ' VAL . 20.2 m-85 -133.36 118.11 18.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.488 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 14.7 p -69.02 139.8 54.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.489 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -33.61 -59.34 0.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.489 ' C ' ' O ' ' A' ' 67' ' ' ALA . 2.5 mmm180 -30.25 -46.85 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.831 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 84.3 m -81.47 -49.21 10.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.1 m . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.132 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.66 ' O ' HD13 ' A' ' 33' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.04 0 CA-C-O 120.864 0.364 . . . . 0.0 110.925 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.514 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -109.82 145.02 37.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.133 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.474 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.3 p -64.38 -179.17 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.787 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -105.74 -16.52 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.566 HG21 ' HB3' ' A' ' 47' ' ' CYS . 87.3 t -68.69 -75.17 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.9 p -90.49 -11.57 39.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 62.73 53.31 2.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -131.33 168.29 17.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.402 ' CG ' ' HB2' ' A' ' 18' ' ' ALA . 15.3 mtm -112.05 -18.59 12.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.424 ' O ' ' NE2' ' A' ' 44' ' ' HIS . 15.1 t -50.74 147.69 4.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.155 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.7 m -153.81 -175.15 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.035 179.866 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.82 0.343 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.66 HD13 ' O ' ' A' ' 17' ' ' LEU . 6.8 mt -95.36 159.24 15.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.632 HG11 ' CD2' ' A' ' 64' ' ' TRP . 39.9 t -138.1 156.2 30.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.455 ' N ' HG12 ' A' ' 34' ' ' VAL . 10.9 tt0 -128.29 131.3 48.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 40' ' ' HIS . 48.6 t -75.92 163.5 27.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.705 ' HG3' HG13 ' A' ' 63' ' ' VAL . 20.0 mm-40 -99.58 -35.27 9.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.425 ' OE1' ' C ' ' A' ' 38' ' ' GLU . 1.8 tm-20 -80.34 -66.95 0.82 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 m -74.18 -25.44 59.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.475 ' CD2' ' O ' ' A' ' 37' ' ' GLN . 33.6 m-70 62.88 38.07 11.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -106.22 149.62 26.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.787 ' O ' HG12 ' A' ' 20' ' ' VAL . 76.2 mt -85.47 128.38 34.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.402 ' CD1' ' HD2' ' A' ' 48' ' ' HIS . 28.8 m-85 -133.8 113.53 12.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.59 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.3 m80 -56.63 126.2 25.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.821 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.552 ' NE2' HG21 ' A' ' 57' ' ' VAL . 18.5 mt-30 -36.49 -29.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 44' ' ' HIS . 1.8 t0 -92.7 -65.43 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.566 ' HB3' HG21 ' A' ' 21' ' ' VAL . 90.9 m -35.15 -39.2 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.409 ' CE1' ' HA ' ' A' ' 66' ' ' CYS . 1.8 t-80 -61.03 158.24 13.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.592 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 0.8 OUTLIER -63.38 -68.06 0.91 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.572 0.701 . . . . 0.0 110.929 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.592 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.9 Cg_endo -69.8 111.3 2.78 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.368 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -47.0 101.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.442 ' C ' ' OE1' ' A' ' 45' ' ' GLN . 50.7 t -76.31 147.99 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.423 ' C ' ' OE1' ' A' ' 45' ' ' GLN . 38.4 p -106.05 172.89 6.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 56' ' ' GLU . 0.6 OUTLIER -73.53 -55.66 6.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -34.71 -34.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.46 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 8.1 mt-10 -68.91 -66.85 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.552 HG21 ' NE2' ' A' ' 45' ' ' GLN . 1.4 t -40.83 -40.82 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -63.42 -56.41 16.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.413 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 4.6 m-20 -40.02 101.08 0.23 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.621 0.724 . . . . 0.0 110.854 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 59' ' ' ASP . 53.7 Cg_endo -69.76 -28.6 25.03 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.634 2.223 . . . . 0.0 112.378 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -101.35 28.25 5.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.6 tp -104.67 136.48 44.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.705 HG13 ' HG3' ' A' ' 37' ' ' GLN . 84.0 t -98.94 101.7 12.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.632 ' CD2' HG11 ' A' ' 34' ' ' VAL . 38.0 t90 -88.56 146.62 25.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -135.81 146.73 47.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.459 ' O ' ' C ' ' A' ' 67' ' ' ALA . 28.5 p -97.68 142.23 29.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -32.25 -53.06 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 67' ' ' ALA . 9.0 mmt-85 -36.4 -49.61 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 24.8 p -89.85 -49.12 6.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 29.5 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.183 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.571 ' O ' HD13 ' A' ' 33' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.82 0.343 . . . . 0.0 110.905 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.528 ' HB2' ' CG ' ' A' ' 25' ' ' MET . . . -116.33 140.53 49.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.098 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.494 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.2 p -62.92 179.0 0.41 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.743 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -104.67 -13.6 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.646 HG21 ' HB3' ' A' ' 47' ' ' CYS . 82.2 t -72.11 -75.49 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.076 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.0 p -92.44 -10.35 38.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.9 mtp85 61.24 53.03 3.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -122.76 160.56 25.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.528 ' CG ' ' HB2' ' A' ' 18' ' ' ALA . 2.0 mtt -114.36 0.42 14.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.5 m -93.45 117.51 30.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.083 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.3 m -103.85 -173.94 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.438 ' O ' ' NE2' ' A' ' 32' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.438 ' NE2' ' O ' ' A' ' 28' ' ' ALA . 1.3 mp0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.848 0.356 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.589 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 6.8 mt -106.86 133.3 51.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.469 HG22 ' CG1' ' A' ' 57' ' ' VAL . 2.7 t -115.85 153.47 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.104 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -123.4 123.29 40.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 22.1 t -66.06 165.05 14.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.477 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 20.5 mm-40 -103.7 -33.11 9.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.426 ' O ' ' CD2' ' A' ' 40' ' ' HIS . 2.8 tm-20 -80.4 -63.83 1.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.7 p -80.84 -25.26 37.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.426 ' CD2' ' O ' ' A' ' 38' ' ' GLU . 51.0 m-70 67.54 30.25 6.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -97.27 145.82 25.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.743 ' O ' HG12 ' A' ' 20' ' ' VAL . 40.4 mt -81.99 130.56 35.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.401 ' CD1' ' HD2' ' A' ' 48' ' ' HIS . 27.5 m-85 -134.04 108.08 8.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.589 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.8 m80 -52.33 124.65 13.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.493 HE21 HG11 ' A' ' 57' ' ' VAL . 33.4 mt-30 -36.79 -28.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.517 ' N ' ' O ' ' A' ' 44' ' ' HIS . 5.4 t70 -92.27 -64.7 1.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.837 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.646 ' HB3' HG21 ' A' ' 21' ' ' VAL . 98.2 m -36.72 -38.85 0.18 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.401 ' HD2' ' CD1' ' A' ' 43' ' ' TYR . 1.8 t-80 -62.06 157.87 17.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.591 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 1.6 mmmp? -61.36 -68.29 0.84 Allowed Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.608 0.718 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.591 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 54.1 Cg_endo -69.68 110.93 2.66 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.68 2.253 . . . . 0.0 112.403 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -48.22 102.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 57.6 t -77.8 147.49 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 77.4 p -102.93 -177.62 3.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -86.89 -23.3 25.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.8 tptt -75.87 -33.91 60.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.634 ' O ' HD23 ' A' ' 62' ' ' LEU . 17.5 mt-10 -64.2 -54.65 30.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.493 HG11 HE21 ' A' ' 45' ' ' GLN . 34.9 m -58.47 -42.08 83.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.451 ' N ' HG23 ' A' ' 57' ' ' VAL . 2.5 m-80 -59.58 -49.74 76.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -43.96 104.04 0.36 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.585 0.707 . . . . 0.0 110.888 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -37.11 9.79 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.708 2.272 . . . . 0.0 112.35 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -88.2 26.32 1.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.634 HD23 ' O ' ' A' ' 56' ' ' GLU . 22.1 tp -109.6 142.67 40.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.598 ' O ' HG13 ' A' ' 63' ' ' VAL . 10.1 p -106.74 108.65 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -93.57 134.61 35.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.477 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 10.0 m-85 -135.01 117.0 15.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 67' ' ' ALA . 16.7 p -61.21 143.42 55.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.489 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -32.45 -62.24 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.083 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.489 ' C ' ' O ' ' A' ' 67' ' ' ALA . 18.7 mtt180 -31.15 -63.49 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 64.4 m -63.22 -44.48 95.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 86.9 m . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.164 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.703 ' O ' HD13 ' A' ' 33' ' ' LEU . 4.6 pp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.804 0.335 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.514 ' HB2' ' HG3' ' A' ' 25' ' ' MET . . . -83.87 142.85 30.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.497 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.1 p -60.55 -175.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.841 HG12 ' O ' ' A' ' 42' ' ' LEU . 1.2 p -106.04 -20.69 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.622 HG21 ' HB3' ' A' ' 47' ' ' CYS . 98.9 t -65.94 -75.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.7 p -90.33 -12.03 38.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.8 mtt180 62.79 52.18 2.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.416 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 13.7 mm100 -133.38 169.81 16.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.514 ' HG3' ' HB2' ' A' ' 18' ' ' ALA . 2.5 mpt? -111.79 -11.29 13.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.3 m -52.25 126.45 18.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.181 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.8 m -138.62 -179.21 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.875 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.485 ' HB2' ' NE2' ' A' ' 45' ' ' GLN . 30.5 mm-40 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.816 0.341 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.703 HD13 ' O ' ' A' ' 17' ' ' LEU . 7.5 mt -97.16 158.54 15.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.641 HG11 ' CD2' ' A' ' 64' ' ' TRP . 19.1 t -133.41 152.18 34.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -124.63 121.39 34.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 23.4 t -65.62 164.32 14.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.538 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 16.1 mm-40 -103.85 -32.97 9.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -83.07 -60.68 2.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.3 p -82.45 -23.36 34.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 63.96 32.01 13.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -96.86 148.05 23.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.841 ' O ' HG12 ' A' ' 20' ' ' VAL . 94.3 mt -86.21 128.8 34.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.406 ' CE1' HG11 ' A' ' 20' ' ' VAL . 38.6 m-85 -133.34 121.32 22.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.591 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 1.8 m80 -65.37 124.21 21.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.818 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.485 ' NE2' ' HB2' ' A' ' 32' ' ' GLN . 60.8 mt-30 -34.15 -32.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.52 ' N ' ' O ' ' A' ' 44' ' ' HIS . 2.8 p-10 -89.88 -63.74 1.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.622 ' HB3' HG21 ' A' ' 21' ' ' VAL . 96.4 m -36.41 -39.0 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.8 t-80 -63.2 159.09 18.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.601 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 0.7 OUTLIER -62.4 -68.53 0.78 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.599 0.714 . . . . 0.0 110.895 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.601 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.9 Cg_endo -69.74 112.45 3.08 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.664 2.242 . . . . 0.0 112.361 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -48.88 101.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.2 t -83.7 139.14 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.9 p -101.82 174.79 5.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.44 ' C ' ' OD1' ' A' ' 58' ' ' ASN . 1.6 p-10 -75.93 -54.6 6.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -37.58 -31.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 54' ' ' ASP . 8.6 mt-10 -73.53 -72.51 0.26 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.859 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.598 ' CG1' HG22 ' A' ' 34' ' ' VAL . 32.9 m -47.73 -22.91 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.44 ' OD1' ' C ' ' A' ' 54' ' ' ASP . 20.8 m120 -66.04 -36.5 83.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.408 ' HB3' ' CB ' ' A' ' 62' ' ' LEU . 39.4 t0 -63.65 115.02 15.33 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.618 0.723 . . . . 0.0 110.844 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.64 -33.26 17.42 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.725 2.283 . . . . 0.0 112.384 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -99.31 34.77 2.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.408 ' CB ' ' HB3' ' A' ' 59' ' ' ASP . 0.9 OUTLIER -104.18 146.85 28.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.413 ' CG1' ' CE2' ' A' ' 65' ' ' TYR . 71.4 t -108.51 111.14 34.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.641 ' CD2' HG11 ' A' ' 34' ' ' VAL . 25.0 t90 -105.69 136.06 45.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.538 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 28.1 m-85 -133.66 126.44 30.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 67' ' ' ALA . 17.0 p -76.76 149.03 36.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.48 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -37.16 -60.13 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.097 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.48 ' C ' ' O ' ' A' ' 67' ' ' ALA . 7.3 mmm180 -31.58 -41.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.425 ' N ' ' O ' ' A' ' 67' ' ' ALA . 74.7 m -91.17 -43.03 10.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.6 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.179 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.662 ' O ' HD12 ' A' ' 17' ' ' LEU . 4.4 pp . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.804 0.335 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -93.82 148.0 22.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.076 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.487 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.4 p -62.02 -179.52 0.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.719 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -103.89 -16.46 7.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.878 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.592 HG21 ' HB3' ' A' ' 47' ' ' CYS . 67.5 t -70.08 -76.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.8 p -90.16 -14.95 32.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.8 mtm180 65.14 52.77 1.44 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.826 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -133.74 -176.98 4.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.702 ' O ' HG13 ' A' ' 27' ' ' VAL . 14.3 mtm -122.6 -19.93 6.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.8 m -41.89 125.22 2.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.143 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.702 HG13 ' O ' ' A' ' 25' ' ' MET . 30.1 m -140.79 172.69 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.859 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.816 0.341 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.575 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 13.1 mt -103.81 157.26 17.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.465 HG11 ' CD2' ' A' ' 64' ' ' TRP . 20.3 t -137.83 154.81 29.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.406 ' N ' HG12 ' A' ' 34' ' ' VAL . 1.9 tm-20 -124.34 128.08 48.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 33.7 t -73.6 160.84 31.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.551 ' HG3' HG12 ' A' ' 63' ' ' VAL . 8.6 mm-40 -101.55 -24.34 14.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.413 ' O ' ' CD2' ' A' ' 40' ' ' HIS . 2.9 tt0 -88.47 -63.88 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.9 p -81.35 -26.82 35.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.413 ' CD2' ' O ' ' A' ' 38' ' ' GLU . 50.5 m-70 68.12 36.02 3.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -103.67 145.62 29.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.719 ' O ' HG12 ' A' ' 20' ' ' VAL . 44.3 mt -80.05 127.71 32.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.453 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 27.6 m-85 -132.63 114.83 14.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.575 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.9 m80 -60.67 124.76 21.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.853 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 44' ' ' HIS . 43.9 mt-30 -36.32 -29.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 44' ' ' HIS . 11.8 t0 -90.76 -65.04 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.592 ' HB3' HG21 ' A' ' 21' ' ' VAL . 95.6 m -36.65 -38.54 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -63.51 155.41 29.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.599 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 8.7 mmtp -60.88 -68.35 0.82 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.595 0.712 . . . . 0.0 110.919 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.599 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 54.1 Cg_endo -69.74 109.87 2.41 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.684 2.256 . . . . 0.0 112.362 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -47.41 100.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 98.6 t -72.12 146.35 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 62.7 p -111.54 177.27 4.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.184 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -76.61 -45.35 30.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.923 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -43.03 -29.13 0.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -76.46 -70.23 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.7 m -48.21 -34.73 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -63.61 -37.41 87.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.458 ' HB3' ' CB ' ' A' ' 62' ' ' LEU . 2.9 m-20 -64.73 111.34 5.53 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.64 0.733 . . . . 0.0 110.866 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -42.92 2.97 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.671 2.247 . . . . 0.0 112.333 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -91.35 33.02 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.477 ' HG ' ' N ' ' A' ' 63' ' ' VAL . 0.1 OUTLIER -107.13 149.91 27.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.551 HG12 ' HG3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -112.9 123.82 68.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.829 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.465 ' CD2' HG11 ' A' ' 34' ' ' VAL . 14.2 t90 -107.49 131.21 54.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -126.93 118.91 25.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 67' ' ' ALA . 20.3 p -72.51 143.05 48.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.472 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -33.61 -57.05 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 67' ' ' ALA . 17.3 mmt180 -32.54 -46.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 67.1 m -83.18 -49.45 9.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.4 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.129 -179.93 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.613 ' O ' HD13 ' A' ' 33' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.797 0.332 . . . . 0.0 110.886 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.609 ' HB2' ' HG3' ' A' ' 25' ' ' MET . . . -106.53 145.45 31.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.479 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.1 p -66.35 -177.77 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.803 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -105.32 -20.66 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.557 HG21 ' HB3' ' A' ' 47' ' ' CYS . 95.2 t -65.74 -75.77 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.0 p -90.36 -12.24 38.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 49.9 mtp85 62.12 52.47 3.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -130.69 172.05 12.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.609 ' HG3' ' HB2' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -115.78 -6.73 12.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.2 m -56.21 123.02 13.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.16 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.0 m -135.72 -176.53 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 179.889 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.769 0.319 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.613 HD13 ' O ' ' A' ' 17' ' ' LEU . 7.5 mt -96.27 164.05 12.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.674 HG11 ' CD2' ' A' ' 64' ' ' TRP . 15.7 t -138.77 155.79 27.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.152 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.414 ' N ' HG12 ' A' ' 34' ' ' VAL . 26.7 tt0 -128.72 128.69 44.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.0 t -76.54 162.98 27.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.478 ' HG3' HG13 ' A' ' 63' ' ' VAL . 8.2 mm-40 -104.25 -32.18 9.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -78.55 -58.17 3.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.449 ' C ' ' CD2' ' A' ' 40' ' ' HIS . 2.2 m -85.88 -33.37 21.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.449 ' CD2' ' C ' ' A' ' 39' ' ' CYS . 16.4 m-70 74.01 39.37 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -108.56 148.61 30.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.803 ' O ' HG12 ' A' ' 20' ' ' VAL . 70.5 mt -84.28 127.77 34.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -133.62 118.11 17.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.958 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.577 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.2 m80 -61.72 127.04 29.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 44' ' ' HIS . 25.3 mt-30 -36.71 -29.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 44' ' ' HIS . 5.9 t70 -93.12 -63.92 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.557 ' HB3' HG21 ' A' ' 21' ' ' VAL . 87.1 m -36.66 -39.35 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.512 ' CE1' ' HA ' ' A' ' 66' ' ' CYS . 1.8 t-80 -62.57 160.95 12.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.58 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 3.7 mmmt -64.28 -67.51 1.04 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.599 0.714 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.58 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.7 Cg_endo -69.73 110.92 2.67 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.7 2.267 . . . . 0.0 112.354 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -48.62 101.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.7 t -83.64 137.44 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.7 p -101.98 179.57 4.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -72.86 -49.22 31.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.69 -33.88 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -72.36 -72.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.522 HG12 HG22 ' A' ' 34' ' ' VAL . 16.0 m -46.28 -26.24 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -64.82 -50.2 67.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -60.29 110.56 2.97 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.636 0.731 . . . . 0.0 110.9 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -37.51 9.07 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.668 2.245 . . . . 0.0 112.346 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 42.7 mtt180 -88.98 29.27 1.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 tp -105.05 130.49 53.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.478 HG13 ' HG3' ' A' ' 37' ' ' GLN . 94.1 t -91.58 107.44 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.674 ' CD2' HG11 ' A' ' 34' ' ' VAL . 24.9 t90 -94.22 150.65 20.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -140.07 144.51 36.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.512 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 26.6 p -96.65 140.99 30.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -30.1 -55.13 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 67' ' ' ALA . 2.5 mmm180 -34.82 -53.09 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 70' ' ' THR . 22.7 p -85.56 -50.1 7.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.403 ' HB ' ' HA ' ' A' ' 67' ' ' ALA . 80.8 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.548 ' O ' HD13 ' A' ' 33' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.854 0.359 . . . . 0.0 110.925 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.557 ' HB2' ' HG3' ' A' ' 25' ' ' MET . . . -112.87 144.71 41.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.071 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.469 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -63.79 -177.38 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 -179.895 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.767 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -105.51 -18.94 6.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 179.92 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.583 HG21 ' HB3' ' A' ' 47' ' ' CYS . 94.1 t -66.53 -75.65 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.1 p -90.77 -12.37 36.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 61.71 51.9 3.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -130.34 176.19 8.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.557 ' HG3' ' HB2' ' A' ' 18' ' ' ALA . 2.1 mpt? -117.95 -14.13 10.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.5 m -48.6 123.43 6.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.138 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.458 HG13 ' O ' ' A' ' 25' ' ' MET . 17.2 m -138.85 -175.67 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.164 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.892 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.464 ' HB2' ' NE2' ' A' ' 45' ' ' GLN . 18.7 mm-40 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.817 0.341 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.585 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 9.3 mt -100.65 153.61 19.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.746 HG11 ' CD2' ' A' ' 64' ' ' TRP . 46.1 t -130.25 158.29 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.497 ' N ' HG12 ' A' ' 34' ' ' VAL . 1.4 tm-20 -130.06 131.06 45.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 37' ' ' GLN . 41.1 t -77.54 163.24 26.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.907 ' HG3' HG23 ' A' ' 63' ' ' VAL . 79.3 mm-40 -99.96 -35.87 9.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.7 -68.07 0.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.7 m -74.27 -25.97 59.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.522 ' CD2' ' O ' ' A' ' 37' ' ' GLN . 24.1 m-70 63.55 41.62 7.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -109.82 150.59 28.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.767 ' O ' HG12 ' A' ' 20' ' ' VAL . 66.0 mt -84.85 126.86 33.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -131.7 114.32 14.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.585 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.3 m80 -57.86 125.57 23.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.551 HE21 HG11 ' A' ' 57' ' ' VAL . 65.6 mt-30 -37.51 -27.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -93.61 -64.5 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.583 ' HB3' HG21 ' A' ' 21' ' ' VAL . 85.3 m -36.79 -38.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.414 ' CE1' ' HA ' ' A' ' 66' ' ' CYS . 1.8 t-80 -62.76 157.93 19.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.602 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 24.6 mtmt -62.69 -68.4 0.82 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.608 0.718 . . . . 0.0 110.949 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.602 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.8 Cg_endo -69.78 109.42 2.31 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.669 2.246 . . . . 0.0 112.337 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -46.82 102.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.52 HG11 HG21 ' A' ' 34' ' ' VAL . 92.3 t -76.52 138.37 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 64.7 p -97.24 176.41 5.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 56' ' ' GLU . 2.0 m-20 -75.03 -58.78 3.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 54' ' ' ASP . 8.0 pttm -33.94 -34.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 54' ' ' ASP . 8.5 mm-40 -62.37 -67.5 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.551 HG11 HE21 ' A' ' 45' ' ' GLN . 34.6 m -55.05 -33.32 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -56.95 -46.09 82.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.466 ' HB3' ' CB ' ' A' ' 62' ' ' LEU . 25.2 t0 -61.2 113.6 8.4 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.592 0.71 . . . . 0.0 110.857 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -39.6 6.47 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.37 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -94.46 35.09 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.484 ' HG ' ' N ' ' A' ' 63' ' ' VAL . 0.1 OUTLIER -100.99 150.27 23.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.907 HG23 ' HG3' ' A' ' 37' ' ' GLN . 7.1 p -113.28 109.88 30.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.746 ' CD2' HG11 ' A' ' 34' ' ' VAL . 39.7 t90 -101.13 152.61 20.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.548 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 41.9 m-85 -142.23 153.8 44.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.453 ' O ' ' C ' ' A' ' 67' ' ' ALA . 27.3 p -106.46 143.51 34.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.919 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -32.75 -54.53 0.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 67' ' ' ALA . 1.9 mmm180 -33.81 -48.34 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.839 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 25.8 p -92.85 -48.68 6.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.4 m . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.135 -179.939 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.505 ' O ' HD13 ' A' ' 33' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.84 0.352 . . . . 0.0 110.954 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.506 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -108.88 140.81 41.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.472 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -62.65 -177.33 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.778 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -106.26 -17.64 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.085 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.552 HG21 ' HB3' ' A' ' 47' ' ' CYS . 65.5 t -68.93 -75.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.4 p -90.51 -12.57 36.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.8 mtt85 63.29 51.01 2.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -132.04 173.31 11.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.406 ' O ' HG13 ' A' ' 27' ' ' VAL . 2.3 mpt? -115.41 -10.79 11.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 93.6 m -48.47 126.36 11.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.406 HG13 ' O ' ' A' ' 25' ' ' MET . 16.0 m -143.11 -176.97 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.175 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.863 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.835 0.35 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.552 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 10.0 mt -104.33 163.65 12.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 42' ' ' LEU . 3.5 t -138.27 151.84 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -123.96 122.65 38.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.846 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 23.8 t -66.92 164.7 16.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.455 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 20.3 mm-40 -103.91 -30.36 10.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.26 -62.74 1.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.3 p -82.21 -24.27 34.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 65.39 34.09 8.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -97.88 148.02 23.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.778 ' O ' HG12 ' A' ' 20' ' ' VAL . 92.8 mt -84.86 126.33 33.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -131.92 118.8 20.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.552 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.2 m80 -62.81 127.62 32.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -38.98 -25.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 44' ' ' HIS . 29.9 t70 -96.57 -64.09 1.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.552 ' HB3' HG21 ' A' ' 21' ' ' VAL . 88.0 m -36.0 -39.63 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.9 t-80 -61.91 156.11 21.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.602 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 3.8 mmtm -61.25 -68.29 0.84 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.53 0.681 . . . . 0.0 110.925 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.602 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 54.2 Cg_endo -69.77 109.27 2.27 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.713 2.275 . . . . 0.0 112.355 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -46.78 101.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.2 t -71.47 141.42 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 75.2 p -100.78 169.6 8.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.41 ' O ' ' ND2' ' A' ' 58' ' ' ASN . 0.7 OUTLIER -72.69 -44.17 62.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -44.93 -28.47 0.67 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -77.37 -70.91 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 33.0 m -43.87 -27.31 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 54' ' ' ASP . 81.7 m-20 -73.28 -51.67 16.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.425 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 2.0 m-20 -51.64 107.68 0.89 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.608 0.718 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 59' ' ' ASP . 53.6 Cg_endo -69.77 -24.06 30.03 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 2.256 . . . . 0.0 112.327 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.405 ' HD2' ' O ' ' A' ' 61' ' ' ARG . 1.2 ppt_? -107.05 28.29 8.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.411 ' HB2' ' HB3' ' A' ' 59' ' ' ASP . 2.3 tp -97.11 144.3 27.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.1 t -104.09 107.67 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 18.5 t90 -100.92 132.93 46.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.455 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 16.3 m-85 -130.58 116.85 18.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.4 p -67.8 144.9 55.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.462 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -38.78 -57.65 1.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.462 ' C ' ' O ' ' A' ' 67' ' ' ALA . 14.2 mmt180 -32.85 -41.06 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 86.7 m -86.75 -49.61 7.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.7 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.126 -179.976 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.705 ' O ' HD12 ' A' ' 17' ' ' LEU . 4.2 pp . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.817 0.341 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -96.23 147.08 24.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.473 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -61.87 -178.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.8 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -104.1 -18.34 6.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.145 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.592 HG21 ' HB3' ' A' ' 47' ' ' CYS . 89.4 t -67.72 -76.05 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.8 p -90.98 -12.04 37.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 61.77 52.16 3.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -129.16 172.28 11.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.474 ' HB3' HD11 ' A' ' 17' ' ' LEU . 37.0 mtp -116.35 -12.81 11.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 95.7 m -53.0 129.19 29.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.8 m -143.7 -179.31 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.88 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.787 0.327 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.585 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 7.2 mt -97.16 164.3 12.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.981 HG22 HG12 ' A' ' 57' ' ' VAL . 10.6 t -138.92 153.46 25.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.066 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -122.73 128.07 50.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.451 ' SG ' ' N ' ' A' ' 37' ' ' GLN . 36.5 t -76.1 163.34 27.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.61 ' HG3' HG13 ' A' ' 63' ' ' VAL . 12.3 mm-40 -100.62 -36.82 9.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.963 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.432 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 0.2 OUTLIER -76.97 -69.38 0.53 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.839 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 40' ' ' HIS . 1.5 m -74.43 -23.75 58.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.462 ' CD2' ' O ' ' A' ' 37' ' ' GLN . 31.3 m-70 63.82 33.47 12.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.811 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -100.87 154.01 19.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.8 ' O ' HG12 ' A' ' 20' ' ' VAL . 55.8 mt -88.54 130.9 35.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -134.95 117.16 15.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.585 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.4 m80 -60.52 127.3 31.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.63 ' NE2' HG11 ' A' ' 57' ' ' VAL . 22.1 mt-30 -37.39 -28.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 44' ' ' HIS . 12.7 t0 -94.25 -64.88 1.03 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.592 ' HB3' HG21 ' A' ' 21' ' ' VAL . 91.2 m -34.9 -38.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.423 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.7 t-80 -61.97 158.35 16.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.807 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.595 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 34.1 mttt -63.73 -68.13 0.89 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.594 0.712 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.595 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.8 Cg_endo -69.87 110.43 2.57 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.626 2.218 . . . . 0.0 112.351 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -45.74 103.78 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.46 ' CG1' ' HG2' ' A' ' 45' ' ' GLN . 89.8 t -73.35 144.6 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.4 ' O ' ' OE1' ' A' ' 45' ' ' GLN . 63.7 p -94.98 176.99 6.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.91 -34.81 38.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -65.59 -43.2 90.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -55.58 -59.98 4.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.981 HG12 HG22 ' A' ' 34' ' ' VAL . 26.8 m -53.82 -36.33 29.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -67.48 -48.33 67.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -40.03 101.66 0.24 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.723 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -36.04 11.5 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.714 2.276 . . . . 0.0 112.329 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.9 ptp180 -100.13 34.93 2.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.0 tp -110.91 140.42 45.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.61 HG13 ' HG3' ' A' ' 37' ' ' GLN . 97.3 t -97.29 93.92 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.508 ' CD2' HG11 ' A' ' 34' ' ' VAL . 60.8 t90 -86.43 136.7 33.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.52 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 19.5 m-85 -126.18 148.48 49.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.463 ' O ' ' C ' ' A' ' 67' ' ' ALA . 27.4 p -99.22 140.49 33.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.463 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -30.9 -52.97 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 67' ' ' ALA . 14.5 mmt-85 -35.65 -50.5 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 21.6 p -88.17 -48.64 7.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.3 m . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.196 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.683 ' O ' HD12 ' A' ' 17' ' ' LEU . 4.0 pp . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.835 0.35 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -101.43 143.43 31.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.089 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.488 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.9 p -62.9 178.46 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.791 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -104.56 -10.53 9.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.522 HG21 ' HB3' ' A' ' 47' ' ' CYS . 99.3 t -75.87 -75.66 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.6 p -90.84 -11.93 37.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 62.75 54.3 2.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -132.02 173.07 11.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.586 ' HB3' HD11 ' A' ' 17' ' ' LEU . 63.3 mtm -118.31 -2.98 11.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.6 m -56.78 124.25 17.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.204 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.0 m -144.28 166.27 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.909 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.426 ' HB2' ' NE2' ' A' ' 45' ' ' GLN . 23.6 mm-40 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.786 0.327 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.591 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 4.4 mt -102.79 156.45 17.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.564 HG11 ' CD2' ' A' ' 64' ' ' TRP . 14.5 t -134.01 155.65 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.41 ' N ' HG12 ' A' ' 34' ' ' VAL . 31.8 tt0 -123.38 134.58 53.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.6 t -82.86 158.07 22.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.595 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 75.5 mm-40 -93.78 -29.45 15.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.94 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.411 ' HB3' ' SG ' ' A' ' 69' ' ' CYS . 0.7 OUTLIER -86.29 -64.35 1.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 69' ' ' CYS . 3.9 m -71.38 -25.71 62.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.406 ' HB2' ' O ' ' A' ' 39' ' ' CYS . 54.6 m-70 63.68 26.52 14.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -98.89 -174.39 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.791 ' O ' HG12 ' A' ' 20' ' ' VAL . 45.4 mt -116.85 132.29 56.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.51 ' CE1' HG11 ' A' ' 20' ' ' VAL . 31.8 m-85 -132.59 114.9 14.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.591 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.7 m80 -58.88 124.17 18.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.754 HE21 HG21 ' A' ' 57' ' ' VAL . 39.4 mt-30 -32.78 -35.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 44' ' ' HIS . 23.1 t0 -86.55 -63.81 1.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.522 ' HB3' HG21 ' A' ' 21' ' ' VAL . 81.4 m -35.92 -36.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.428 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.8 t-80 -65.06 159.23 23.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.58 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 50.4 mttt -65.03 -67.56 1.01 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.576 0.703 . . . . 0.0 110.862 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.58 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.8 Cg_endo -69.73 109.28 2.27 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.354 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -46.09 102.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.96 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 50.7 t -84.91 148.37 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 81.3 p -112.13 167.34 10.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.149 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 55' ' ' LYS . 4.5 m-20 -67.9 -54.11 21.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 54' ' ' ASP . 3.0 ttmm -34.13 -41.6 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -68.46 -60.93 2.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.754 HG21 HE21 ' A' ' 45' ' ' GLN . 15.6 t -42.91 -36.98 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -61.34 -56.73 17.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.441 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 10.8 t0 -41.46 105.86 0.41 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.607 0.718 . . . . 0.0 110.918 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 59' ' ' ASP . 53.1 Cg_endo -69.77 -34.35 14.72 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.718 2.278 . . . . 0.0 112.301 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -92.69 29.26 1.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.426 ' CB ' ' HB3' ' A' ' 59' ' ' ASP . 7.5 tp -103.56 133.83 47.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.647 ' O ' HG13 ' A' ' 63' ' ' VAL . 13.6 p -95.79 106.6 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.564 ' CD2' HG11 ' A' ' 34' ' ' VAL . 21.1 t90 -98.84 132.34 44.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.595 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 17.1 m-85 -131.9 124.04 28.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 67' ' ' ALA . 14.1 p -65.25 145.52 56.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.474 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -35.43 -60.9 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.474 ' C ' ' O ' ' A' ' 67' ' ' ALA . 15.3 mmt180 -32.4 -42.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.411 ' SG ' ' HB3' ' A' ' 38' ' ' GLU . 76.1 m -84.62 -49.51 8.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.0 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 -179.905 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.814 0.34 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.568 ' HB2' ' CG ' ' A' ' 25' ' ' MET . . . -113.66 139.43 49.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.471 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.2 p -58.07 179.52 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.826 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -104.21 -16.33 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.09 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.586 HG21 ' HB3' ' A' ' 47' ' ' CYS . 99.6 t -69.07 -75.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.0 p -90.54 -15.87 29.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.4 mtm-85 66.83 50.68 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -126.0 163.65 22.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.568 ' CG ' ' HB2' ' A' ' 18' ' ' ALA . 14.2 mtm -114.76 1.24 14.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.9 m -73.53 128.47 35.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.127 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.8 m -138.18 -175.57 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.075 179.917 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.48 ' HB2' ' NE2' ' A' ' 45' ' ' GLN . 24.1 mm-40 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.797 0.332 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.59 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 3.7 mt -101.73 161.47 13.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.64 HG11 ' CD2' ' A' ' 64' ' ' TRP . 16.4 t -136.77 159.88 37.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.483 ' N ' HG12 ' A' ' 34' ' ' VAL . 31.1 tt0 -134.82 126.65 29.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.4 t -71.1 162.32 29.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.85 ' HG3' HG23 ' A' ' 63' ' ' VAL . 20.2 mm-40 -98.68 -34.53 10.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.958 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.67 -68.67 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.813 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.9 m -72.1 -25.1 61.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 63.16 38.72 10.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -105.84 149.76 26.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.826 ' O ' HG12 ' A' ' 20' ' ' VAL . 68.2 mt -85.45 131.66 34.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -136.22 116.12 13.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.965 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.59 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.1 m80 -60.04 125.79 25.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.597 HE21 HG11 ' A' ' 57' ' ' VAL . 82.4 mt-30 -34.9 -31.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.508 ' N ' ' O ' ' A' ' 44' ' ' HIS . 32.2 t0 -91.09 -65.33 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.586 ' HB3' HG21 ' A' ' 21' ' ' VAL . 84.8 m -34.84 -40.02 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.845 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.434 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.9 t-80 -63.07 156.78 23.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.598 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 20.3 mttt -62.24 -68.29 0.85 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.564 0.697 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.598 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.8 Cg_endo -69.78 111.21 2.75 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.671 2.247 . . . . 0.0 112.332 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -47.57 101.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.447 HG11 HG21 ' A' ' 34' ' ' VAL . 38.2 t -81.31 137.42 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 75.7 p -92.06 -175.28 4.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.653 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.8 OUTLIER -86.56 -37.65 17.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -62.88 -40.39 97.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.87 ' O ' HD23 ' A' ' 62' ' ' LEU . 8.3 mt-10 -57.74 -46.49 84.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.653 HG22 ' O ' ' A' ' 54' ' ' ASP . 18.7 m -71.45 -28.25 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -73.51 -46.45 47.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.401 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 34.7 t0 -48.54 107.41 0.75 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.658 0.742 . . . . 0.0 110.801 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 59' ' ' ASP . 53.4 Cg_endo -69.77 -30.14 22.71 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.706 2.271 . . . . 0.0 112.333 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -91.26 23.96 3.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.87 HD23 ' O ' ' A' ' 56' ' ' GLU . 21.5 tp -115.46 131.54 56.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.929 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.85 HG23 ' HG3' ' A' ' 37' ' ' GLN . 12.2 p -98.75 103.44 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.64 ' CD2' HG11 ' A' ' 34' ' ' VAL . 19.9 t90 -82.1 146.88 29.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -137.8 151.92 48.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.935 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.457 ' O ' ' C ' ' A' ' 67' ' ' ALA . 26.9 p -100.27 139.19 36.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -31.92 -52.28 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.089 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 67' ' ' ALA . 7.0 mmt180 -36.74 -49.8 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 25.6 p -88.85 -48.58 7.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.7 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.643 ' O ' HD13 ' A' ' 33' ' ' LEU . 4.3 pp . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.812 0.339 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.8 143.89 29.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.459 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.3 p -59.64 -176.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.774 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -106.06 -17.09 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.614 HG21 ' HB3' ' A' ' 47' ' ' CYS . 98.1 t -69.02 -75.28 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.4 p -91.38 -15.87 28.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.6 mtt-85 65.24 54.84 1.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.855 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -133.08 172.75 12.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.47 ' O ' HG13 ' A' ' 27' ' ' VAL . 2.8 mpp? -113.88 -18.73 11.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.2 m -46.0 121.95 3.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.47 HG13 ' O ' ' A' ' 25' ' ' MET . 12.6 m -136.36 177.32 6.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.166 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.924 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.793 0.33 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.643 HD13 ' O ' ' A' ' 17' ' ' LEU . 6.9 mt -101.08 143.22 31.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.582 HG11 ' CD2' ' A' ' 64' ' ' TRP . 6.1 t -118.17 155.82 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -127.04 122.19 33.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 37' ' ' GLN . 34.6 t -70.94 162.74 28.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.539 ' O ' ' CD2' ' A' ' 40' ' ' HIS . 51.9 mm-40 -101.12 -37.01 8.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -74.77 -69.39 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -74.27 -23.42 59.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.539 ' CD2' ' O ' ' A' ' 37' ' ' GLN . 25.7 m-70 63.5 36.43 11.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.825 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -104.94 150.64 24.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.774 ' O ' HG12 ' A' ' 20' ' ' VAL . 62.6 mt -86.73 128.02 35.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -132.11 114.58 14.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.581 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.0 m80 -56.6 127.73 32.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.44 ' OE1' ' C ' ' A' ' 52' ' ' VAL . 11.8 mt-30 -38.77 -25.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 44' ' ' HIS . 3.5 t0 -96.82 -65.03 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.614 ' HB3' HG21 ' A' ' 21' ' ' VAL . 89.6 m -34.31 -39.86 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.412 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.8 t-80 -60.02 161.11 7.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.591 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 2.2 mmmp? -64.87 -67.97 0.91 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.571 0.7 . . . . 0.0 110.904 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.591 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.8 Cg_endo -69.72 109.63 2.35 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.662 2.241 . . . . 0.0 112.323 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -46.8 99.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.44 ' C ' ' OE1' ' A' ' 45' ' ' GLN . 25.6 t -75.36 139.95 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.8 p -105.43 173.8 6.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 55' ' ' LYS . 18.3 m-20 -67.39 -58.7 4.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 54' ' ' ASP . 43.5 mmtt -33.54 -37.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 54' ' ' ASP . 13.1 mm-40 -71.26 -74.92 0.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.54 HG12 HG22 ' A' ' 34' ' ' VAL . 28.6 m -47.45 -21.21 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.428 ' ND2' ' HB3' ' A' ' 54' ' ' ASP . 17.8 m-20 -72.55 -43.58 63.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.447 ' HB3' ' CB ' ' A' ' 62' ' ' LEU . 10.2 t0 -58.7 110.14 2.4 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.609 0.719 . . . . 0.0 110.866 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 59' ' ' ASP . 53.1 Cg_endo -69.86 -36.76 9.97 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.317 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 61' ' ' ARG . 19.1 mtm105 -93.78 31.62 1.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.447 ' CB ' ' HB3' ' A' ' 59' ' ' ASP . 3.5 tp -105.78 138.71 41.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.513 HG13 ' HG3' ' A' ' 37' ' ' GLN . 91.9 t -98.39 101.05 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.582 ' CD2' HG11 ' A' ' 34' ' ' VAL . 23.7 t90 -87.96 151.64 22.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -142.05 147.27 36.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 67' ' ' ALA . 30.5 p -98.98 141.35 31.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -30.98 -52.54 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.091 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 67' ' ' ALA . 3.8 mmm180 -36.32 -51.94 0.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 20.9 p -86.48 -49.8 7.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 27.2 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 -179.935 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.421 HD23 ' N ' ' A' ' 17' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.796 0.332 . . . . 0.0 110.885 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.47 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -119.56 142.6 48.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.082 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.476 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.8 p -63.44 179.98 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.782 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -104.47 -16.01 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.61 HG21 ' HB3' ' A' ' 47' ' ' CYS . 86.9 t -70.39 -75.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.1 p -90.54 -12.17 37.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 62.78 53.62 2.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -132.06 167.65 19.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.468 ' SD ' ' HB2' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -111.85 -15.59 13.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.2 t -48.82 142.93 5.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.191 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.2 m -154.76 175.17 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 179.869 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.465 ' HB2' ' NE2' ' A' ' 45' ' ' GLN . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.868 0.366 . . . . 0.0 110.874 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.594 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 10.1 mt -97.9 159.31 15.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.675 HG22 ' CG1' ' A' ' 57' ' ' VAL . 4.5 t -138.26 155.33 28.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.079 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -128.07 121.84 30.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.488 ' SG ' ' N ' ' A' ' 37' ' ' GLN . 10.8 t -69.27 163.2 25.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.633 ' HG3' HG13 ' A' ' 63' ' ' VAL . 70.9 mm-40 -98.94 -40.13 8.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.16 -71.24 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.0 m -70.04 -24.92 63.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.594 ' CD2' ' O ' ' A' ' 37' ' ' GLN . 27.0 m-70 63.53 34.61 12.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -102.65 153.8 19.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.782 ' O ' HG12 ' A' ' 20' ' ' VAL . 64.9 mt -89.95 129.53 36.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.404 ' CD1' ' HD2' ' A' ' 48' ' ' HIS . 28.6 m-85 -133.43 116.58 16.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.594 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.2 m80 -61.24 126.22 26.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.889 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.465 ' NE2' ' HB2' ' A' ' 32' ' ' GLN . 46.9 mt-30 -34.35 -33.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 44' ' ' HIS . 21.5 t0 -89.11 -65.28 1.03 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.61 ' HB3' HG21 ' A' ' 21' ' ' VAL . 94.2 m -35.25 -38.21 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.418 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.8 t-80 -63.73 154.53 32.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.817 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.607 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 0.2 OUTLIER -60.23 -69.0 0.62 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.584 0.707 . . . . 0.0 110.921 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.607 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.3 Cg_endo -69.81 112.13 3.0 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -47.53 103.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.494 HG12 ' N ' ' A' ' 53' ' ' THR . 98.7 t -77.1 156.98 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.494 ' N ' HG12 ' A' ' 52' ' ' VAL . 34.7 p -107.94 -176.6 3.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.147 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.507 ' O ' ' ND2' ' A' ' 58' ' ' ASN . 9.8 t0 -92.37 -29.6 16.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.3 mttt -70.43 -37.38 74.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.686 ' O ' HD23 ' A' ' 62' ' ' LEU . 5.3 mm-40 -63.24 -60.5 3.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.844 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.675 ' CG1' HG22 ' A' ' 34' ' ' VAL . 20.3 m -55.1 -33.18 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.092 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 54' ' ' ASP . 26.4 m-20 -68.47 -39.44 81.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.488 ' HB3' ' CB ' ' A' ' 62' ' ' LEU . 4.2 m-20 -51.06 107.43 0.82 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.648 0.737 . . . . 0.0 110.915 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -29.7 23.59 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.67 2.246 . . . . 0.0 112.342 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.415 ' HG3' ' H ' ' A' ' 61' ' ' ARG . 3.0 ppt_? -100.6 26.65 6.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.686 HD23 ' O ' ' A' ' 56' ' ' GLU . 15.1 tp -110.36 134.52 52.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.633 HG13 ' HG3' ' A' ' 37' ' ' GLN . 81.1 t -96.45 102.03 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.502 ' CD2' HG11 ' A' ' 34' ' ' VAL . 62.8 t90 -91.01 132.43 36.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.948 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -121.66 148.43 44.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.914 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.466 ' O ' ' C ' ' A' ' 67' ' ' ALA . 30.7 p -98.74 142.05 30.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.876 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.466 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -32.2 -51.25 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.405 ' HB2' ' SG ' ' A' ' 66' ' ' CYS . 9.2 mmt180 -37.86 -50.03 1.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 21.5 p -89.0 -50.34 6.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 89.1 m . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 -179.98 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.878 0.37 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.428 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -114.06 138.95 49.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.062 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.485 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.3 p -63.51 -176.51 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.831 HG12 ' O ' ' A' ' 42' ' ' LEU . 1.3 p -105.9 -21.13 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.157 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.547 HG21 ' HB3' ' A' ' 47' ' ' CYS . 58.6 t -65.82 -75.24 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.116 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 16.9 p -90.6 -14.43 32.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.7 mtm-85 63.91 53.89 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.427 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 53.8 mm-40 -135.32 171.39 14.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -113.93 -9.59 13.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.0 m -52.43 118.23 3.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.9 m -135.12 -178.12 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.078 179.908 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.826 0.346 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.564 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 11.5 mt -105.83 161.24 14.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.946 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.595 HG22 HG23 ' A' ' 57' ' ' VAL . 16.1 t -140.28 155.35 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.406 ' N ' HG12 ' A' ' 34' ' ' VAL . 22.8 tt0 -126.12 130.69 51.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.415 ' SG ' ' N ' ' A' ' 37' ' ' GLN . 42.0 t -75.91 163.68 26.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.878 ' HG3' HG13 ' A' ' 63' ' ' VAL . 8.7 mm-40 -102.72 -34.33 9.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.489 ' O ' ' CD2' ' A' ' 40' ' ' HIS . 3.6 tp10 -77.11 -62.36 1.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.462 ' C ' ' CD2' ' A' ' 40' ' ' HIS . 1.8 m -82.3 -33.44 29.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.847 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.489 ' CD2' ' O ' ' A' ' 38' ' ' GLU . 17.1 m-70 75.0 36.6 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -103.01 152.32 21.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.831 ' O ' HG12 ' A' ' 20' ' ' VAL . 71.5 mt -87.13 128.0 35.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.402 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 28.6 m-85 -134.66 117.55 16.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.564 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.4 m80 -60.67 128.37 36.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.539 ' OE1' HG12 ' A' ' 52' ' ' VAL . 15.0 mt-30 -38.89 -25.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 44' ' ' HIS . 14.7 t70 -96.82 -63.78 1.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.547 ' HB3' HG21 ' A' ' 21' ' ' VAL . 92.4 m -35.79 -40.28 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.8 t-80 -61.77 157.19 18.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.612 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 13.3 mmtp -61.24 -68.69 0.73 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.573 0.701 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.612 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.9 Cg_endo -69.76 109.05 2.22 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.714 2.276 . . . . 0.0 112.362 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -46.71 103.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.539 HG12 ' OE1' ' A' ' 45' ' ' GLN . 26.7 t -75.92 123.49 32.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.7 p -85.68 159.99 19.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 55' ' ' LYS . 5.6 t0 -60.33 -58.32 9.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 54' ' ' ASP . 10.8 tttt -32.96 -37.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.854 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 54' ' ' ASP . 4.2 mm-40 -77.64 -57.75 3.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.595 HG23 HG22 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -46.76 -33.26 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.14 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -68.17 -55.01 13.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -41.28 101.83 0.25 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.621 0.724 . . . . 0.0 110.881 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -32.27 18.93 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.699 2.266 . . . . 0.0 112.341 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.8 mtt85 -95.81 29.46 2.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.2 tp -105.07 125.46 51.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.878 HG13 ' HG3' ' A' ' 37' ' ' GLN . 96.2 t -83.31 100.96 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.503 ' CD2' HG11 ' A' ' 34' ' ' VAL . 16.5 t90 -87.61 147.28 25.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -135.3 144.38 46.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 67' ' ' ALA . 30.6 p -99.28 143.23 29.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -34.66 -47.94 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.414 ' HB2' ' SG ' ' A' ' 66' ' ' CYS . 11.3 mmt180 -39.86 -49.91 2.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 15.0 p -86.88 -47.22 9.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 50.8 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 -179.965 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -174.67 108.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.877 0.37 . . . . 0.0 110.89 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.8 p -104.12 130.76 51.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.25 142.09 9.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -114.75 155.56 26.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.881 0.372 . . . . 0.0 110.875 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -136.53 126.48 25.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.74 137.31 9.5 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -123.17 160.93 25.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.804 0.335 . . . . 0.0 111.1 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -97.63 175.87 6.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -115.96 123.48 48.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -159.27 166.55 31.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -39.69 -49.45 2.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.076 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 11.3 mmt -50.73 -40.48 54.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 15' ' ' MET . 8.8 tp10 -55.92 -53.7 53.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 14' ' ' GLU . 1.8 mpt? -35.88 -47.37 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.37 38.71 38.03 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.464 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.602 ' O ' HD12 ' A' ' 17' ' ' LEU . 4.6 pp -112.24 19.77 17.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 110.92 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.438 ' HB2' ' HG3' ' A' ' 25' ' ' MET . . . -101.36 149.89 23.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.481 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.7 p -62.43 -179.32 0.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.769 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -104.09 -17.48 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.606 HG21 ' HB3' ' A' ' 47' ' ' CYS . 95.3 t -69.54 -75.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.092 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.1 p -91.71 -12.25 34.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.1 mtp180 62.46 54.79 2.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 -132.44 175.07 9.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.438 ' HG3' ' HB2' ' A' ' 18' ' ' ALA . 2.5 mpp? -118.14 -11.96 10.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.0 m -51.2 122.68 8.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.6 m -137.69 165.89 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.1 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -174.69 168.97 3.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.5 m -43.24 101.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.43 -41.31 2.18 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.523 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -94.02 44.88 1.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.815 0.341 . . . . 0.0 110.896 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -79.18 -174.68 4.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.566 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 12.7 mt -109.16 156.52 19.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.492 HG22 HG12 ' A' ' 57' ' ' VAL . 4.7 t -137.47 151.82 26.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.059 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -120.98 126.42 49.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 23.1 t -71.31 161.9 30.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.521 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 25.8 mm-40 -98.78 -26.65 14.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.78 -70.57 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.9 p -73.08 -22.79 60.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 62.66 34.39 14.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -100.21 151.24 21.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.769 ' O ' HG12 ' A' ' 20' ' ' VAL . 55.7 mt -85.1 129.87 34.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -134.14 114.4 13.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.566 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.6 m80 -60.01 124.39 20.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.852 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.517 ' OE1' HG12 ' A' ' 52' ' ' VAL . 12.1 mt-30 -35.58 -30.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 44' ' ' HIS . 39.6 t0 -90.23 -64.85 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.606 ' HB3' HG21 ' A' ' 21' ' ' VAL . 86.2 m -36.38 -39.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -63.55 155.02 30.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.608 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 2.5 mtpt -60.44 -68.43 0.78 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.602 0.715 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.608 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.3 Cg_endo -69.81 107.6 1.9 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.717 2.278 . . . . 0.0 112.322 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -46.6 101.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.517 HG12 ' OE1' ' A' ' 45' ' ' GLN . 19.5 t -74.26 134.54 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.404 ' O ' ' OE1' ' A' ' 45' ' ' GLN . 35.1 p -89.89 158.79 17.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.502 ' O ' HG22 ' A' ' 57' ' ' VAL . 11.1 t0 -63.9 -35.54 80.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.849 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -64.79 -39.55 93.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.561 ' O ' HD23 ' A' ' 62' ' ' LEU . 22.7 mt-10 -59.22 -54.52 45.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 54' ' ' ASP . 23.0 m -56.74 -37.74 54.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 -65.3 -47.43 76.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -42.04 102.31 0.27 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.641 0.734 . . . . 0.0 110.83 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -27.79 25.86 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.666 2.244 . . . . 0.0 112.351 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -100.18 25.65 7.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.561 HD23 ' O ' ' A' ' 56' ' ' GLU . 17.9 tp -106.47 137.06 45.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.965 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.587 ' O ' HG13 ' A' ' 63' ' ' VAL . 7.7 p -99.19 101.81 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 12.4 t90 -89.24 133.12 34.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.521 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 10.1 m-85 -134.02 117.8 17.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.2 p -65.57 144.17 57.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -39.32 -56.19 1.59 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.069 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 67' ' ' ALA . 13.3 mmt180 -35.1 -38.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 88.7 m -88.29 -50.78 6.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 34.2 m -45.79 -42.67 12.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -71.03 -36.01 72.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.831 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -70.19 -64.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.478 ' HE1' ' CD2' ' A' ' 65' ' ' TYR . 7.2 mtt -38.92 -37.06 0.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -68.87 94.83 0.65 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 48.2 ptt85 -106.01 -43.26 4.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.8 mmt -50.67 -19.85 1.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 78' ' ' GLN . . . 42.63 52.65 4.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.078 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 77' ' ' ALA . 21.2 pt20 34.4 38.36 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -112.08 177.85 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -51.02 134.19 26.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -92.35 117.86 30.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.02 -53.1 7.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.1 t -150.32 146.01 26.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.796 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 158.96 121.64 0.63 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 118.8 5.9 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.728 2.285 . . . . 0.0 112.371 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.8 t -74.61 124.25 26.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.8 t -127.56 161.71 28.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.152 -0.804 . . . . 0.0 112.487 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 1' ' ' GLY . 75.3 p 35.56 42.26 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.37 . . . . 0.0 110.831 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.2 p -109.21 102.22 11.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.856 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.03 -179.17 47.29 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.481 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.0 t -163.2 160.67 24.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.86 0.362 . . . . 0.0 110.817 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 m -128.72 168.68 15.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.01 -162.91 54.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -135.78 171.75 14.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.806 0.336 . . . . 0.0 111.107 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -157.98 126.59 5.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -41.03 147.65 0.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.828 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.413 ' O ' ' C ' ' A' ' 12' ' ' ALA . 3.1 t80 -156.28 150.91 25.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 13' ' ' MET . . . -36.89 -45.9 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 12' ' ' ALA . 4.4 mtt -35.86 -45.69 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -40.78 -61.46 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.419 ' HB3' HD23 ' A' ' 17' ' ' LEU . 31.5 mmt -65.88 -39.85 91.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 64.37 45.39 93.48 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.524 ' O ' HD12 ' A' ' 17' ' ' LEU . 4.6 pp -116.7 16.73 15.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.818 0.342 . . . . 0.0 110.95 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.408 ' HB1' ' O ' ' A' ' 24' ' ' GLN . . . -90.08 151.13 21.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.08 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.494 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -64.67 -177.38 0.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.729 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -104.77 -18.96 6.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.645 HG21 ' HB3' ' A' ' 47' ' ' CYS . 86.0 t -67.42 -76.11 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.405 ' C ' ' HD2' ' A' ' 23' ' ' ARG . 21.0 p -92.24 -6.62 50.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.471 ' HD2' ' N ' ' A' ' 23' ' ' ARG . 2.4 mpt_? 56.12 55.05 7.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.408 ' O ' ' HB1' ' A' ' 18' ' ' ALA . 16.3 mt-30 -134.98 -179.49 5.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 37.9 mtm -122.95 -8.93 8.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.2 m -53.15 118.25 3.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.9 m -132.18 -176.14 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.081 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 30' ' ' GLY . . . -160.96 148.49 15.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.08 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 28' ' ' ALA . 31.0 t -34.83 -32.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 28' ' ' ALA . . . -100.27 -41.03 2.88 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.473 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -99.27 88.8 4.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 110.85 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.475 ' HB2' ' NE2' ' A' ' 45' ' ' GLN . 14.5 mm100 -100.54 -174.75 2.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.577 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 4.9 mt -103.61 152.81 21.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.566 HG11 ' CD2' ' A' ' 64' ' ' TRP . 21.2 t -128.53 158.1 40.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.468 ' N ' HG12 ' A' ' 34' ' ' VAL . 49.2 tt0 -128.66 130.46 47.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.9 t -75.61 162.32 28.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.595 ' HG3' HG23 ' A' ' 63' ' ' VAL . 1.7 mm100 -98.89 -29.15 13.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -86.52 -70.05 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.6 p -72.93 -24.02 60.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 62.48 36.35 14.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.827 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -102.48 145.46 29.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.729 ' O ' HG12 ' A' ' 20' ' ' VAL . 42.4 mt -80.05 129.92 34.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -133.48 114.62 13.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.914 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.577 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.9 m80 -58.68 123.63 17.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.807 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.621 HE21 HG11 ' A' ' 57' ' ' VAL . 88.0 mt-30 -34.98 -31.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 44' ' ' HIS . 14.3 t70 -89.45 -63.55 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.645 ' HB3' HG21 ' A' ' 21' ' ' VAL . 79.8 m -36.07 -42.65 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -60.04 156.56 14.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.603 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 21.6 mtmt -60.54 -68.88 0.66 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.538 0.685 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.603 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 54.0 Cg_endo -69.75 111.0 2.69 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.714 2.276 . . . . 0.0 112.38 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -47.1 102.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.493 HG11 HG21 ' A' ' 34' ' ' VAL . 22.2 t -79.18 133.29 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 74.4 p -105.11 165.6 10.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 55' ' ' LYS . 11.0 m-20 -57.66 -53.54 57.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.456 ' N ' ' HD3' ' A' ' 55' ' ' LYS . 6.9 mmtt -33.73 -44.08 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -64.11 -74.03 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.621 HG11 HE21 ' A' ' 45' ' ' GLN . 5.2 m -42.14 -35.24 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.113 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 38.8 m-20 -63.7 -46.81 83.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -56.47 109.2 1.53 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.624 0.726 . . . . 0.0 110.839 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -41.47 4.24 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.66 2.24 . . . . 0.0 112.396 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -86.9 30.17 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.5 tp -108.17 130.99 55.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.659 ' O ' HG13 ' A' ' 63' ' ' VAL . 10.0 p -95.97 103.15 14.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.566 ' CD2' HG11 ' A' ' 34' ' ' VAL . 27.2 t90 -89.13 131.37 35.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -128.03 126.53 41.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 67' ' ' ALA . 15.8 p -77.6 142.4 38.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -36.62 -55.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 67' ' ' ALA . 19.7 mmt-85 -34.36 -43.11 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 88.4 m -83.39 -48.31 10.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.9 m -47.09 -40.08 14.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -74.88 -34.35 62.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -63.98 -66.45 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 9.5 mtt -42.64 -33.98 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -65.86 -43.56 88.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.466 ' HB3' ' NH1' ' A' ' 75' ' ' ARG . 8.7 mtp-105 -53.39 -48.29 68.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.411 ' C ' ' O ' ' A' ' 75' ' ' ARG . 2.3 tpt 37.5 36.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.98 43.55 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.139 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -118.74 159.75 23.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.4 tttp -74.02 104.68 4.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -45.04 144.33 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 66.0 tp60 -149.35 152.96 36.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -74.34 86.64 1.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.9 t -122.62 -59.13 1.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 121.7 84.09 0.73 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.452 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 157.61 59.75 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.685 2.257 . . . . 0.0 112.335 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.6 m -63.17 175.78 0.87 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 59.8 p -89.36 -43.44 10.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.083 -0.843 . . . . 0.0 112.506 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.9 m -79.25 105.5 10.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.377 . . . . 0.0 110.856 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.7 p -65.65 106.82 1.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.26 -62.24 1.86 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.48 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.7 m -61.8 124.86 21.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.847 0.356 . . . . 0.0 110.864 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.2 m -82.91 142.3 31.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.02 176.03 7.72 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -128.68 176.46 7.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 111.095 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.424 ' HA ' ' CD ' ' A' ' 14' ' ' GLU . 8.9 m-20 -162.88 147.69 11.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.2 t0 59.37 46.34 12.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.444 ' O ' ' C ' ' A' ' 12' ' ' ALA . 6.8 t80 -152.07 163.31 39.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.445 ' HB1' ' SD ' ' A' ' 25' ' ' MET . . . -34.29 -59.4 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.093 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -34.37 -58.44 0.48 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 15' ' ' MET . 4.4 mm-40 -56.18 -63.09 1.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.448 ' C ' ' O ' ' A' ' 14' ' ' GLU . 6.1 mmt -34.33 -43.94 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 69.81 50.84 27.68 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.43 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.411 ' CD2' ' HB3' ' A' ' 15' ' ' MET . 0.3 OUTLIER -97.94 22.38 9.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.756 0.313 . . . . 0.0 110.899 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' A' ' 24' ' ' GLN . . . -103.92 142.96 33.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.479 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.4 p -58.91 -179.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.787 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -103.86 -15.61 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 179.861 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.605 HG21 ' HB3' ' A' ' 47' ' ' CYS . 99.8 t -70.79 -75.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.104 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.3 p -90.83 -14.14 32.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.6 mtp85 64.05 54.9 1.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.404 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 37.3 mt-30 -134.87 172.76 12.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.445 ' SD ' ' HB1' ' A' ' 12' ' ' ALA . 9.5 mtm -114.94 -7.16 12.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 99.7 m -54.63 129.41 36.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.8 m -144.94 175.49 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.175 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.53 164.76 37.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.5 m -39.04 -33.95 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -109.39 -40.97 1.42 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.526 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -86.89 74.87 9.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.34 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -97.82 -174.52 2.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.579 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 9.7 mt -105.72 166.35 10.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.524 HG22 ' CG1' ' A' ' 57' ' ' VAL . 14.5 t -145.55 149.24 16.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -119.97 126.62 51.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 35.9 t -71.58 162.86 28.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.619 ' HG3' HG23 ' A' ' 63' ' ' VAL . 1.8 mm100 -99.07 -28.85 13.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -87.6 -70.28 0.64 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.5 p -73.03 -22.0 60.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 61.63 31.43 18.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -97.33 148.94 22.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.787 ' O ' HG12 ' A' ' 20' ' ' VAL . 72.2 mt -84.21 129.57 34.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -134.4 114.4 12.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.579 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.5 m80 -59.27 124.37 19.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 44' ' ' HIS . 16.2 mt-30 -34.92 -31.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 44' ' ' HIS . 24.9 t70 -89.98 -65.28 1.03 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.605 ' HB3' HG21 ' A' ' 21' ' ' VAL . 92.8 m -35.05 -39.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.419 ' O ' ' O ' ' A' ' 46' ' ' ASP . 2.1 t-80 -63.24 153.7 33.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.604 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 10.3 mptt -58.61 -68.37 0.72 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.634 0.73 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.604 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.9 Cg_endo -69.73 112.19 3.01 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.672 2.248 . . . . 0.0 112.366 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -49.62 100.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.401 HG13 ' OE1' ' A' ' 56' ' ' GLU . 33.1 t -77.8 130.53 36.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.9 p -96.4 163.09 13.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.435 ' HA ' HG22 ' A' ' 57' ' ' VAL . 2.9 m-20 -63.2 -48.5 78.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -42.41 -25.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.659 ' O ' HD22 ' A' ' 62' ' ' LEU . 38.2 mt-10 -81.81 -69.9 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.524 ' CG1' HG22 ' A' ' 34' ' ' VAL . 19.0 m -50.8 -27.05 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.181 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -65.02 -38.41 90.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 62' ' ' LEU . 8.6 t70 -61.57 117.86 31.89 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.628 0.728 . . . . 0.0 110.823 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -37.15 9.77 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -101.81 38.2 1.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.659 HD22 ' O ' ' A' ' 56' ' ' GLU . 1.9 tp -106.79 123.31 47.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.946 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.619 HG23 ' HG3' ' A' ' 37' ' ' GLN . 11.0 p -85.72 109.47 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.428 ' CD2' HG11 ' A' ' 34' ' ' VAL . 28.2 t90 -99.87 129.42 45.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -124.43 120.08 31.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 67' ' ' ALA . 15.9 p -74.64 141.22 44.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.482 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -33.54 -59.57 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.482 ' C ' ' O ' ' A' ' 67' ' ' ALA . 15.5 mmt180 -30.68 -45.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 83.9 m -83.86 -49.56 8.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.2 m -45.51 -41.51 9.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -63.03 -36.64 84.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -73.21 -64.58 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 31.4 mtt -36.93 -38.24 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -97.1 132.08 43.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -132.69 -42.59 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.1 mmt -87.16 30.64 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -112.9 35.03 4.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.084 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -147.49 169.01 20.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -88.22 130.69 35.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -49.69 165.18 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.456 ' O ' ' C ' ' A' ' 82' ' ' LYS . 6.8 tt0 -115.38 159.61 20.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 81' ' ' GLN . 13.0 tptp -33.96 128.88 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 t -122.17 147.15 46.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.442 ' N ' ' HD2' ' A' ' 85' ' ' PRO . . . -55.9 -61.85 6.98 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.442 ' HD2' ' N ' ' A' ' 84' ' ' GLY . 54.0 Cg_endo -69.74 4.21 2.32 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.719 2.279 . . . . 0.0 112.347 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 54.0 p -56.82 107.75 0.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.8 t -94.62 127.42 40.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.843 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.537 -179.972 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t -41.95 -47.8 4.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.885 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.6 p -61.32 153.32 26.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.46 153.21 29.34 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.52 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.3 p -99.87 41.75 1.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 0.0 110.872 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -94.31 -56.21 2.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.23 -127.81 1.21 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 61.56 41.75 12.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.767 0.317 . . . . 0.0 111.091 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -129.53 90.85 3.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.76 127.67 56.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -154.12 135.4 14.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 13' ' ' MET . . . -38.87 -47.38 1.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.08 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.427 ' C ' ' O ' ' A' ' 12' ' ' ALA . 17.2 mmt -36.33 -50.18 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -40.45 -60.99 0.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 22.4 mtt -51.87 -58.19 7.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.408 ' O ' HD11 ' A' ' 42' ' ' LEU . . . 95.72 60.89 1.02 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.519 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.49 ' O ' ' CD1' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -123.74 24.17 8.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.796 0.331 . . . . 0.0 110.875 -179.885 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.661 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -124.0 144.97 49.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.468 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -69.55 -177.92 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.796 HG12 ' O ' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -104.73 -21.26 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.575 HG21 ' HB3' ' A' ' 47' ' ' CYS . 88.1 t -64.37 -75.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.432 ' C ' ' HD3' ' A' ' 23' ' ' ARG . 16.7 p -91.06 -6.07 54.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.432 ' HD3' ' C ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER 55.38 54.44 8.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -134.9 172.94 12.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.629 ' HG3' ' HB2' ' A' ' 18' ' ' ALA . 2.2 mpt? -114.21 -15.74 12.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.0 m -44.15 123.85 3.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.495 HG13 ' O ' ' A' ' 25' ' ' MET . 13.4 m -140.56 175.91 5.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.131 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.02 166.58 3.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.8 t -48.45 123.65 6.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.7 -37.68 3.28 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.481 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -108.15 72.31 0.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.756 0.312 . . . . 0.0 110.932 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.477 ' HB2' ' NE2' ' A' ' 45' ' ' GLN . 21.5 mt-30 -98.3 -174.93 2.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.575 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 10.1 mt -97.27 160.59 14.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.701 HG11 ' CD2' ' A' ' 64' ' ' TRP . 22.0 t -140.35 160.94 25.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.525 ' N ' HG12 ' A' ' 34' ' ' VAL . 49.5 tt0 -134.07 134.29 42.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 40' ' ' HIS . 42.8 t -79.08 163.24 25.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.978 ' HG3' HG23 ' A' ' 63' ' ' VAL . 11.4 mm-40 -97.57 -35.85 10.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -80.49 -69.65 0.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.29 -26.75 63.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.489 ' CD2' ' O ' ' A' ' 37' ' ' GLN . 34.2 m-70 63.14 39.58 9.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -106.7 150.18 26.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.796 ' O ' HG12 ' A' ' 20' ' ' VAL . 52.8 mt -84.99 127.18 34.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.403 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 30.2 m-85 -132.98 116.62 16.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.575 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.7 m80 -59.67 129.22 40.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.889 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.477 ' NE2' ' HB2' ' A' ' 32' ' ' GLN . 63.2 mt-30 -39.66 -25.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 44' ' ' HIS . 0.6 OUTLIER -97.16 -64.74 1.01 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.575 ' HB3' HG21 ' A' ' 21' ' ' VAL . 95.3 m -36.62 -40.42 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.563 ' CE1' ' HA ' ' A' ' 66' ' ' CYS . 1.9 t-80 -62.6 157.13 21.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.594 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 4.1 mptp? -59.92 -68.09 0.85 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.521 0.676 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.594 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 54.0 Cg_endo -69.75 109.51 2.33 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.72 2.28 . . . . 0.0 112.34 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -50.02 101.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.7 t -82.82 136.54 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 46.1 p -98.25 169.02 9.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 55' ' ' LYS . 8.5 p-10 -71.66 -57.85 4.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 54' ' ' ASP . 10.8 ttmt -35.24 -36.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 54' ' ' ASP . 23.1 mm-40 -77.14 -60.56 2.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.407 HG23 HG22 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -45.96 -29.95 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 59' ' ' ASP . 50.2 m-20 -64.04 -54.78 28.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.458 ' HB3' ' CB ' ' A' ' 62' ' ' LEU . 11.2 t0 -36.44 111.03 0.48 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.586 0.708 . . . . 0.0 110.898 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 59' ' ' ASP . 54.2 Cg_endo -69.68 -37.93 8.68 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -94.18 32.3 1.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.458 ' CB ' ' HB3' ' A' ' 59' ' ' ASP . 4.9 tp -107.38 124.42 49.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.978 HG23 ' HG3' ' A' ' 37' ' ' GLN . 2.5 p -88.43 109.52 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.164 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.701 ' CD2' HG11 ' A' ' 34' ' ' VAL . 40.7 t90 -96.07 146.9 24.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.959 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.405 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 38.2 m-85 -134.22 155.43 50.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.563 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 22.7 p -105.7 138.04 42.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.491 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -30.45 -54.94 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 67' ' ' ALA . 2.5 mmp_? -33.7 -51.11 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 66' ' ' CYS . 26.2 p -88.11 -44.4 10.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.9 m -43.01 -48.26 5.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.47 ' CZ ' ' HB2' ' A' ' 71' ' ' ARG . 3.7 ptm85 -59.95 -36.26 76.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -69.09 -61.95 1.58 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 13.4 mtt -55.01 -38.93 68.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt -40.09 106.62 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -59.61 -62.63 1.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 10.7 mtp -42.82 -44.23 4.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -93.77 41.73 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.063 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -86.23 138.98 31.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 80' ' ' ASN . 2.2 tmmm? -149.93 148.15 28.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.468 ' N ' ' HD2' ' A' ' 79' ' ' LYS . 27.9 t30 -82.22 121.1 26.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.55 159.13 5.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 29.8 tttm -53.05 128.79 28.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.4 m -120.49 149.34 42.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -145.57 84.48 0.19 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.537 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 147.04 62.53 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.67 2.247 . . . . 0.0 112.338 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.3 t -116.43 93.14 4.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.9 p -40.54 -43.67 1.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 CA-C-O 119.125 -0.82 . . . . 0.0 112.479 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 1' ' ' GLY . 73.0 m 37.2 42.11 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.867 0.365 . . . . 0.0 110.856 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.6 p -53.4 152.25 4.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.84 -175.48 15.73 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -134.91 126.42 28.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 0.0 110.877 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -165.81 162.88 18.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.06 -128.77 8.72 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.486 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 60.77 37.3 18.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.826 0.346 . . . . 0.0 111.142 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -125.35 38.77 4.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.55 126.94 36.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.21 -71.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 14' ' ' GLU . . . -103.79 -46.97 4.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.083 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.427 ' C ' ' O ' ' A' ' 12' ' ' ALA . 10.3 mtm -36.32 -31.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 12' ' ' ALA . 6.7 tp10 -70.91 -61.15 1.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.459 ' HB2' ' CD2' ' A' ' 17' ' ' LEU . 34.0 mtp -34.41 -40.49 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.57 62.27 1.4 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.459 ' CD2' ' HB2' ' A' ' 15' ' ' MET . 0.5 OUTLIER -124.93 24.66 7.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.812 0.339 . . . . 0.0 110.917 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.611 ' HB2' ' HG3' ' A' ' 25' ' ' MET . . . -117.61 141.51 48.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.486 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.3 p -62.62 -178.62 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.844 HG12 ' O ' ' A' ' 42' ' ' LEU . 1.2 p -104.9 -21.44 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.582 HG21 ' HB3' ' A' ' 47' ' ' CYS . 82.3 t -64.16 -75.04 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.4 p -90.9 -11.2 39.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 61.31 52.26 3.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -133.06 172.96 11.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.611 ' HG3' ' HB2' ' A' ' 18' ' ' ALA . 1.8 mpt? -115.46 -10.71 11.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.7 m -50.4 122.32 6.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.123 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.0 m -137.86 -178.1 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -152.55 -175.5 5.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.7 p -66.57 -43.91 83.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.82 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.03 -32.18 8.06 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.508 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -104.18 95.56 6.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.33 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -108.67 -175.29 2.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.583 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 8.9 mt -98.69 170.18 8.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.497 HG11 ' CD2' ' A' ' 64' ' ' TRP . 14.0 t -151.32 154.36 8.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -126.84 127.63 45.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.6 t -70.33 163.24 27.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.649 ' HG3' HG13 ' A' ' 63' ' ' VAL . 7.2 mm-40 -103.45 -32.65 9.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.956 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.436 ' O ' ' CD2' ' A' ' 40' ' ' HIS . 2.1 tp10 -78.62 -59.39 2.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.44 ' C ' ' CD2' ' A' ' 40' ' ' HIS . 2.0 m -84.2 -32.27 24.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.44 ' CD2' ' C ' ' A' ' 39' ' ' CYS . 17.3 m-70 74.13 37.71 0.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -107.0 151.29 25.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.844 ' O ' HG12 ' A' ' 20' ' ' VAL . 93.6 mt -86.12 128.87 34.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.945 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.409 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 27.1 m-85 -134.52 116.13 14.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.583 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.4 m80 -60.34 125.62 24.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.826 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.466 ' HG2' ' CG1' ' A' ' 52' ' ' VAL . 88.5 mt-30 -35.84 -29.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 44' ' ' HIS . 3.4 t70 -91.63 -64.56 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.582 ' HB3' HG21 ' A' ' 21' ' ' VAL . 84.8 m -36.9 -38.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.494 ' CE1' ' HA ' ' A' ' 66' ' ' CYS . 1.8 t-80 -63.9 159.92 18.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.596 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 0.2 OUTLIER -63.95 -68.06 0.9 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.538 0.685 . . . . 0.0 110.909 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.596 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 54.0 Cg_endo -69.75 110.07 2.46 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.695 2.264 . . . . 0.0 112.36 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -48.45 103.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.466 ' CG1' ' HG2' ' A' ' 45' ' ' GLN . 86.4 t -76.56 128.7 37.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 58.7 p -94.36 166.61 11.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -65.11 -57.64 8.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 54' ' ' ASP . 3.4 ttmm -33.52 -38.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 54' ' ' ASP . 15.0 mt-10 -74.86 -61.61 1.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.438 ' HB ' ' NE2' ' A' ' 45' ' ' GLN . 0.3 OUTLIER -44.35 -32.52 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -62.6 -55.7 24.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.456 ' HB3' ' CB ' ' A' ' 62' ' ' LEU . 6.7 t70 -41.86 102.67 0.27 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.596 0.712 . . . . 0.0 110.856 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -30.73 21.74 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.679 2.253 . . . . 0.0 112.366 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -100.4 29.27 4.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.456 ' CB ' ' HB3' ' A' ' 59' ' ' ASP . 12.9 tp -99.61 133.17 44.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.649 HG13 ' HG3' ' A' ' 37' ' ' GLN . 86.7 t -90.39 97.02 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.497 ' CD2' HG11 ' A' ' 34' ' ' VAL . 27.5 t90 -85.45 144.71 27.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.585 ' CE1' ' HE1' ' A' ' 73' ' ' MET . 19.2 m-85 -132.88 145.29 50.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.938 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.494 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 26.0 p -98.98 140.63 32.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.87 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.474 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -28.83 -56.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.073 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.465 ' HA ' ' CZ ' ' A' ' 71' ' ' ARG . 8.5 mmt180 -33.4 -53.24 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 72' ' ' GLN . 21.3 p -85.3 -49.9 7.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.2 m -38.63 -45.69 1.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.465 ' CZ ' ' HA ' ' A' ' 68' ' ' ARG . 5.9 mtm180 -64.9 -38.9 92.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 69' ' ' CYS . 21.0 mm-40 -68.97 -61.66 1.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.585 ' HE1' ' CE1' ' A' ' 65' ' ' TYR . 10.1 mtt -49.78 -38.43 34.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.3 mmtm -77.82 99.03 5.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 76' ' ' MET . 11.5 ptp180 -127.61 -40.61 1.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.423 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 31.5 ttp 47.08 43.41 14.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -133.27 73.96 1.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -85.01 138.83 32.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 33.5 tttm -61.9 144.33 55.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -51.88 121.3 6.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -145.92 162.35 37.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.42 ' HD3' ' C ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -72.69 -39.18 67.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 89.0 p -38.17 123.93 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.844 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.05 -94.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.459 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 157.05 61.81 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.72 2.28 . . . . 0.0 112.346 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.9 t -172.19 129.61 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 35.3 p -104.13 120.41 41.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.46 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 t -102.2 83.22 2.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.91 0.386 . . . . 0.0 110.879 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -162.72 140.52 8.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.91 -128.46 1.55 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.512 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.8 p -162.19 162.4 28.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 0.0 110.862 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.5 m -125.36 121.58 34.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.17 -174.6 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -101.67 176.54 5.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.78 0.324 . . . . 0.0 111.128 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -152.88 143.86 22.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -38.47 147.84 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -155.37 163.48 40.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.59 -35.67 76.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.5 tpp -43.72 -40.15 4.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -93.24 -72.65 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 18.4 mtt -54.11 -62.68 1.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.81 40.1 27.01 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.469 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.766 ' O ' HD13 ' A' ' 33' ' ' LEU . 4.6 pp -116.75 19.42 14.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.814 0.34 . . . . 0.0 110.926 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.416 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -86.27 146.45 26.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.075 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.489 ' HB3' HD21 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -66.38 -174.4 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.775 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.7 OUTLIER -108.77 -18.58 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.149 179.93 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.526 HG21 ' HB3' ' A' ' 47' ' ' CYS . 90.1 t -68.72 -75.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.4 p -89.45 -15.33 33.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 66.08 50.27 1.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -129.09 171.75 12.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.838 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.483 ' HB3' HD11 ' A' ' 17' ' ' LEU . 66.0 mtm -118.32 -4.27 10.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.1 m -59.32 121.37 11.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.8 m -132.66 -179.3 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -154.07 172.62 17.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.8 p -47.66 -49.59 27.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.818 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -97.45 -35.6 5.15 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.493 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -89.58 82.25 6.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.328 . . . . 0.0 110.917 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -103.48 -176.22 3.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.766 HD13 ' O ' ' A' ' 17' ' ' LEU . 6.5 mt -100.88 158.18 16.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.406 HG11 ' CD2' ' A' ' 64' ' ' TRP . 3.1 t -130.66 155.9 42.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -128.81 119.83 25.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 24.9 t -65.17 161.31 19.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.543 ' N ' ' CD ' ' A' ' 37' ' ' GLN . 1.5 mm100 -99.5 -26.92 13.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -87.23 -69.13 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.5 p -74.36 -21.64 59.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 62.42 32.82 16.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -97.23 150.1 21.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.775 ' O ' HG12 ' A' ' 20' ' ' VAL . 68.4 mt -87.69 126.64 35.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -131.75 121.65 24.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.582 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.0 m80 -64.31 128.54 36.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.883 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -38.81 -25.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.95 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 44' ' ' HIS . 29.8 t70 -96.55 -62.9 1.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.526 ' HB3' HG21 ' A' ' 21' ' ' VAL . 87.6 m -36.14 -40.92 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -60.9 155.3 20.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.611 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 13.5 mtmm -59.52 -69.07 0.59 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.596 0.712 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.611 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.7 Cg_endo -69.76 112.77 3.17 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -47.85 103.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 36.7 t -77.69 131.43 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.3 p -85.36 -176.18 6.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.159 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.507 ' O ' ' ND2' ' A' ' 58' ' ' ASN . 19.6 m-20 -89.06 -32.01 17.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -70.12 -38.25 75.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.565 ' O ' HD23 ' A' ' 62' ' ' LEU . 6.1 mm-40 -58.68 -61.04 2.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.0 m -56.74 -34.0 42.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 54' ' ' ASP . 1.9 m-80 -63.56 -57.96 8.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.429 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 3.7 t70 -41.2 101.85 0.25 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.55 0.69 . . . . 0.0 110.89 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 59' ' ' ASP . 53.7 Cg_endo -69.76 -10.66 29.1 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.675 2.25 . . . . 0.0 112.318 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.29 5.75 40.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.857 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.565 HD23 ' O ' ' A' ' 56' ' ' GLU . 16.1 tp -97.19 138.83 34.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.553 ' CG2' ' CE2' ' A' ' 65' ' ' TYR . 1.9 p -100.37 107.56 21.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.406 ' CD2' HG11 ' A' ' 34' ' ' VAL . 7.6 t90 -87.04 133.26 33.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.553 ' CE2' ' CG2' ' A' ' 63' ' ' VAL . 13.6 m-85 -133.54 115.11 14.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 18.2 p -65.51 148.09 52.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.459 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -38.6 -56.81 1.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.459 ' C ' ' O ' ' A' ' 67' ' ' ALA . 6.0 mmt180 -33.45 -41.81 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 85.8 m -87.76 -47.73 8.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.0 m -45.95 -44.86 15.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -59.83 -34.9 73.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -72.33 -62.46 1.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 12.0 mtt -49.13 -40.47 32.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 41.3 mttt -46.76 163.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.49 ' O ' ' N ' ' A' ' 77' ' ' ALA . 24.3 ptt180 -67.38 -47.48 70.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 40.5 ttm -39.03 -26.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 75' ' ' ARG . . . -119.95 67.68 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -92.01 114.93 27.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.3 mttp -165.01 165.11 20.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -46.52 102.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.849 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -126.26 145.72 50.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 35.3 tttm -86.94 82.95 7.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.8 t -171.16 127.39 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -89.24 -150.58 22.82 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.46 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 147.72 63.5 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.656 2.238 . . . . 0.0 112.364 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.5 m -99.85 172.37 7.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 54.8 p -121.69 177.38 5.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.486 -179.94 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -98.77 132.56 44.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.924 0.392 . . . . 0.0 110.851 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.0 p -171.92 147.29 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.37 99.8 0.17 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.456 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.4 m -80.94 135.03 35.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.931 0.396 . . . . 0.0 110.862 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -84.86 88.87 7.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.8 137.17 2.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.553 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -172.97 174.04 3.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.761 0.315 . . . . 0.0 111.129 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -70.55 149.46 47.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -45.95 147.16 1.05 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -159.17 141.03 13.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 13' ' ' MET . . . -43.43 -41.4 4.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.436 ' O ' ' C ' ' A' ' 14' ' ' GLU . 2.0 tmm? -36.94 -47.0 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 13' ' ' MET . 5.6 mm-40 -35.17 -63.61 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.475 ' HB2' ' CD2' ' A' ' 17' ' ' LEU . 83.9 mmm -91.96 -48.58 6.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.57 63.44 1.48 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.467 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.475 ' CD2' ' HB2' ' A' ' 15' ' ' MET . 0.2 OUTLIER -122.43 16.95 10.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.844 0.354 . . . . 0.0 110.952 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -103.81 149.7 24.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.082 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.477 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -64.27 -176.44 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.715 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -106.36 -18.43 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.12 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.522 HG21 ' HB3' ' A' ' 47' ' ' CYS . 68.3 t -68.51 -75.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.7 p -90.92 -13.17 34.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 63.05 53.33 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -130.51 175.93 8.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.5 mtm -123.33 0.47 8.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.0 m -63.52 120.83 12.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.15 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.2 m -135.54 168.96 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -174.31 172.92 3.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.087 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.2 t -52.12 117.23 2.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.2 -25.95 17.67 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.49 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -120.93 69.83 0.9 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -97.29 -175.48 3.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.58 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 11.2 mt -103.55 155.28 18.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.543 HG11 ' CD2' ' A' ' 64' ' ' TRP . 10.6 t -133.0 159.66 43.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.459 ' N ' HG12 ' A' ' 34' ' ' VAL . 8.7 tt0 -129.79 125.65 36.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 44.6 t -72.06 159.95 33.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.426 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 21.3 mm-40 -98.34 -28.25 13.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -86.55 -70.51 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.2 p -71.91 -22.94 61.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 62.65 36.18 13.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -103.69 150.33 24.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.715 ' O ' HG12 ' A' ' 20' ' ' VAL . 25.0 mt -84.52 128.6 34.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.976 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.431 ' CE1' HG11 ' A' ' 20' ' ' VAL . 23.6 m-85 -131.91 118.8 20.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.58 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.5 m80 -64.58 123.59 19.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.883 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 44' ' ' HIS . 91.4 mt-30 -35.38 -30.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.512 ' N ' ' O ' ' A' ' 44' ' ' HIS . 38.0 t70 -89.9 -62.54 1.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.522 ' HB3' HG21 ' A' ' 21' ' ' VAL . 90.7 m -38.94 -38.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.488 ' CE1' ' HA ' ' A' ' 66' ' ' CYS . 1.8 t-160 -64.49 166.77 7.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.566 ' HG3' ' N ' ' A' ' 50' ' ' PRO . 1.2 tppt? -72.82 -63.25 1.14 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.591 0.71 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.566 ' N ' ' HG3' ' A' ' 49' ' ' LYS . 54.3 Cg_endo -69.75 106.85 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.707 2.272 . . . . 0.0 112.342 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -46.0 98.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 50' ' ' PRO . 38.5 t -83.55 143.46 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 67.9 p -113.75 175.7 5.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.448 ' N ' ' OD1' ' A' ' 54' ' ' ASP . 0.5 OUTLIER -69.77 -54.73 12.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.847 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.5 tttm -39.04 -30.24 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 54' ' ' ASP . 10.5 mm-40 -72.75 -72.4 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.425 ' CG1' HG22 ' A' ' 34' ' ' VAL . 15.1 m -47.46 -29.19 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -61.67 -43.24 99.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.402 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 5.6 t70 -62.74 110.69 3.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.57 0.7 . . . . 0.0 110.871 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 59' ' ' ASP . 54.1 Cg_endo -69.77 -38.12 8.21 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.667 2.244 . . . . 0.0 112.367 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 76.2 mtm-85 -85.35 27.77 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 tp -105.22 142.8 34.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.524 ' CG1' ' CE2' ' A' ' 65' ' ' TYR . 92.9 t -107.2 106.74 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.543 ' CD2' HG11 ' A' ' 34' ' ' VAL . 10.0 t90 -96.37 133.88 40.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.524 ' CE2' ' CG1' ' A' ' 63' ' ' VAL . 20.2 m-85 -133.36 118.11 18.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.488 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 14.7 p -69.02 139.8 54.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.489 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -33.61 -59.34 0.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.489 ' C ' ' O ' ' A' ' 67' ' ' ALA . 2.5 mmm180 -30.25 -46.85 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.831 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 84.3 m -81.47 -49.21 10.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.1 m -45.56 -45.83 13.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.132 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -57.75 -29.74 65.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -76.27 -56.58 4.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.94 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.452 ' O ' ' C ' ' A' ' 74' ' ' LYS . 21.2 mtt -49.63 -37.12 26.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 73' ' ' MET . 41.1 mmtt -34.15 149.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.407 ' O ' ' NE2' ' A' ' 78' ' ' GLN . 18.2 ptt180 -71.77 -40.67 69.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -85.34 29.83 0.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -114.7 42.89 2.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.407 ' NE2' ' O ' ' A' ' 75' ' ' ARG . 0.4 OUTLIER -143.5 142.21 31.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.95 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -115.54 40.86 2.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -156.87 168.09 28.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -63.73 171.21 2.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.06 165.37 26.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.9 t -96.3 175.73 6.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -58.33 -70.03 1.1 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 124.16 10.82 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.72 2.28 . . . . 0.0 112.376 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 t -99.72 141.51 32.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.817 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.6 t -62.21 125.41 23.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.914 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.457 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.5 m -79.15 141.81 36.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 110.86 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -97.59 -47.56 5.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.51 50.71 0.86 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.448 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.8 p -55.14 171.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.931 0.396 . . . . 0.0 110.815 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -78.72 -55.96 4.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.816 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.48 -103.09 0.41 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.458 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -162.76 167.55 22.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.78 0.324 . . . . 0.0 111.097 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -72.81 142.81 48.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -54.83 118.03 3.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.431 ' CG ' ' N ' ' A' ' 12' ' ' ALA . 54.0 t80 -154.38 171.2 19.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.431 ' N ' ' CG ' ' A' ' 11' ' ' PHE . . . -36.68 -44.75 0.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.105 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.6 tpt -45.18 -54.21 7.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 15' ' ' MET . 13.7 tt0 -69.03 -47.65 64.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.49 ' HB2' ' CD2' ' A' ' 17' ' ' LEU . 17.4 mmt -34.89 -46.43 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.867 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.83 68.51 1.43 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.66 ' O ' HD13 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -125.87 22.74 7.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 0.0 110.925 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.514 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -109.82 145.02 37.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.133 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.474 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.3 p -64.38 -179.17 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.787 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -105.74 -16.52 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.566 HG21 ' HB3' ' A' ' 47' ' ' CYS . 87.3 t -68.69 -75.17 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.9 p -90.49 -11.57 39.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 62.73 53.31 2.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -131.33 168.29 17.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.402 ' CG ' ' HB2' ' A' ' 18' ' ' ALA . 15.3 mtm -112.05 -18.59 12.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.424 ' O ' ' NE2' ' A' ' 44' ' ' HIS . 15.1 t -50.74 147.69 4.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.155 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.7 m -153.81 -175.15 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 29' ' ' SER . . . -146.03 146.41 30.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.035 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 28' ' ' ALA . 8.2 t -36.29 -37.07 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.56 -54.7 1.64 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.514 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -88.25 101.86 14.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.777 0.322 . . . . 0.0 110.924 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -108.36 -174.34 2.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.66 HD13 ' O ' ' A' ' 17' ' ' LEU . 6.8 mt -95.36 159.24 15.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.632 HG11 ' CD2' ' A' ' 64' ' ' TRP . 39.9 t -138.1 156.2 30.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.455 ' N ' HG12 ' A' ' 34' ' ' VAL . 10.9 tt0 -128.29 131.3 48.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 40' ' ' HIS . 48.6 t -75.92 163.5 27.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.705 ' HG3' HG13 ' A' ' 63' ' ' VAL . 20.0 mm-40 -99.58 -35.27 9.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.425 ' OE1' ' C ' ' A' ' 38' ' ' GLU . 1.8 tm-20 -80.34 -66.95 0.82 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 m -74.18 -25.44 59.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.475 ' CD2' ' O ' ' A' ' 37' ' ' GLN . 33.6 m-70 62.88 38.07 11.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -106.22 149.62 26.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.787 ' O ' HG12 ' A' ' 20' ' ' VAL . 76.2 mt -85.47 128.38 34.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.402 ' CD1' ' HD2' ' A' ' 48' ' ' HIS . 28.8 m-85 -133.8 113.53 12.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.59 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.3 m80 -56.63 126.2 25.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.821 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.552 ' NE2' HG21 ' A' ' 57' ' ' VAL . 18.5 mt-30 -36.49 -29.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 44' ' ' HIS . 1.8 t0 -92.7 -65.43 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.566 ' HB3' HG21 ' A' ' 21' ' ' VAL . 90.9 m -35.15 -39.2 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.409 ' CE1' ' HA ' ' A' ' 66' ' ' CYS . 1.8 t-80 -61.03 158.24 13.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.592 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 0.8 OUTLIER -63.38 -68.06 0.91 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.572 0.701 . . . . 0.0 110.929 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.592 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.9 Cg_endo -69.8 111.3 2.78 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.368 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -47.0 101.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.442 ' C ' ' OE1' ' A' ' 45' ' ' GLN . 50.7 t -76.31 147.99 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.423 ' C ' ' OE1' ' A' ' 45' ' ' GLN . 38.4 p -106.05 172.89 6.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 56' ' ' GLU . 0.6 OUTLIER -73.53 -55.66 6.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -34.71 -34.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.46 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 8.1 mt-10 -68.91 -66.85 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.552 HG21 ' NE2' ' A' ' 45' ' ' GLN . 1.4 t -40.83 -40.82 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -63.42 -56.41 16.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.413 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 4.6 m-20 -40.02 101.08 0.23 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.621 0.724 . . . . 0.0 110.854 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 59' ' ' ASP . 53.7 Cg_endo -69.76 -28.6 25.03 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.634 2.223 . . . . 0.0 112.378 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -101.35 28.25 5.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.6 tp -104.67 136.48 44.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.705 HG13 ' HG3' ' A' ' 37' ' ' GLN . 84.0 t -98.94 101.7 12.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.632 ' CD2' HG11 ' A' ' 34' ' ' VAL . 38.0 t90 -88.56 146.62 25.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.451 ' CG ' ' HE3' ' A' ' 73' ' ' MET . 20.4 m-85 -135.81 146.73 47.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.459 ' O ' ' C ' ' A' ' 67' ' ' ALA . 28.5 p -97.68 142.23 29.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -32.25 -53.06 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 67' ' ' ALA . 9.0 mmt-85 -36.4 -49.61 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 72' ' ' GLN . 24.8 p -89.85 -49.12 6.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 29.5 m -40.4 -43.21 1.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.183 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -65.16 -36.56 84.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 69' ' ' CYS . 42.0 mt-30 -66.94 -63.23 1.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.451 ' HE3' ' CG ' ' A' ' 65' ' ' TYR . 19.6 mtt -45.38 -32.76 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -66.8 -44.82 80.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -69.39 -40.0 77.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 45.8 mtm 65.51 43.28 3.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.33 42.24 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -86.46 167.0 15.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.52 148.99 44.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 38.5 p-10 -102.87 102.71 12.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -49.32 117.42 2.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -86.2 -57.31 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.4 t -172.19 156.06 3.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.408 ' HA2' ' HD2' ' A' ' 85' ' ' PRO . . . 97.66 96.98 1.96 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.408 ' HD2' ' HA2' ' A' ' 84' ' ' GLY . 53.2 Cg_endo -69.78 97.34 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.72 2.28 . . . . 0.0 112.334 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.1 t -126.15 133.56 51.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.0 t -53.76 96.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.114 -0.826 . . . . 0.0 112.545 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.1 t -109.83 90.31 3.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.383 . . . . 0.0 110.831 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 t -101.54 98.6 8.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.68 147.26 48.13 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.467 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.1 t -125.11 85.65 2.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.895 0.379 . . . . 0.0 110.87 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t -128.56 109.62 11.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.03 91.67 0.53 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -141.98 126.77 18.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.782 0.325 . . . . 0.0 111.108 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -82.29 46.63 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -125.61 92.66 3.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -152.86 -178.64 7.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.45 -38.11 55.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.077 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 20.9 mmt -48.43 -39.08 21.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -83.92 -72.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 7.7 mtt -74.42 -62.07 1.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.11 66.47 1.57 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.475 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.571 ' O ' HD13 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -120.87 23.89 10.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 0.0 110.905 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.528 ' HB2' ' CG ' ' A' ' 25' ' ' MET . . . -116.33 140.53 49.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.098 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.494 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.2 p -62.92 179.0 0.41 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.743 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -104.67 -13.6 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.646 HG21 ' HB3' ' A' ' 47' ' ' CYS . 82.2 t -72.11 -75.49 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.076 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.0 p -92.44 -10.35 38.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.9 mtp85 61.24 53.03 3.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -122.76 160.56 25.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.528 ' CG ' ' HB2' ' A' ' 18' ' ' ALA . 2.0 mtt -114.36 0.42 14.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.5 m -93.45 117.51 30.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.083 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.3 m -103.85 -173.94 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.438 ' O ' ' NE2' ' A' ' 32' ' ' GLN . . . -157.04 167.15 31.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.69 103.34 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.405 ' H ' ' NE2' ' A' ' 32' ' ' GLN . . . 102.22 -15.72 56.1 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.461 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.422 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 29.9 t30 -117.06 42.24 2.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 0.0 110.924 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.438 ' NE2' ' O ' ' A' ' 28' ' ' ALA . 1.3 mp0 -61.48 -176.09 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.589 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 6.8 mt -106.86 133.3 51.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.469 HG22 ' CG1' ' A' ' 57' ' ' VAL . 2.7 t -115.85 153.47 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.104 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -123.4 123.29 40.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 22.1 t -66.06 165.05 14.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.477 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 20.5 mm-40 -103.7 -33.11 9.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.426 ' O ' ' CD2' ' A' ' 40' ' ' HIS . 2.8 tm-20 -80.4 -63.83 1.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.7 p -80.84 -25.26 37.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.426 ' CD2' ' O ' ' A' ' 38' ' ' GLU . 51.0 m-70 67.54 30.25 6.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -97.27 145.82 25.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.743 ' O ' HG12 ' A' ' 20' ' ' VAL . 40.4 mt -81.99 130.56 35.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.401 ' CD1' ' HD2' ' A' ' 48' ' ' HIS . 27.5 m-85 -134.04 108.08 8.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.589 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.8 m80 -52.33 124.65 13.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.493 HE21 HG11 ' A' ' 57' ' ' VAL . 33.4 mt-30 -36.79 -28.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.517 ' N ' ' O ' ' A' ' 44' ' ' HIS . 5.4 t70 -92.27 -64.7 1.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.837 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.646 ' HB3' HG21 ' A' ' 21' ' ' VAL . 98.2 m -36.72 -38.85 0.18 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.401 ' HD2' ' CD1' ' A' ' 43' ' ' TYR . 1.8 t-80 -62.06 157.87 17.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.591 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 1.6 mmmp? -61.36 -68.29 0.84 Allowed Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.608 0.718 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.591 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 54.1 Cg_endo -69.68 110.93 2.66 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.68 2.253 . . . . 0.0 112.403 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -48.22 102.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 57.6 t -77.8 147.49 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 77.4 p -102.93 -177.62 3.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -86.89 -23.3 25.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.8 tptt -75.87 -33.91 60.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.634 ' O ' HD23 ' A' ' 62' ' ' LEU . 17.5 mt-10 -64.2 -54.65 30.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.493 HG11 HE21 ' A' ' 45' ' ' GLN . 34.9 m -58.47 -42.08 83.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.451 ' N ' HG23 ' A' ' 57' ' ' VAL . 2.5 m-80 -59.58 -49.74 76.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -43.96 104.04 0.36 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.585 0.707 . . . . 0.0 110.888 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -37.11 9.79 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.708 2.272 . . . . 0.0 112.35 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -88.2 26.32 1.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.634 HD23 ' O ' ' A' ' 56' ' ' GLU . 22.1 tp -109.6 142.67 40.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.598 ' O ' HG13 ' A' ' 63' ' ' VAL . 10.1 p -106.74 108.65 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -93.57 134.61 35.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.477 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 10.0 m-85 -135.01 117.0 15.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 67' ' ' ALA . 16.7 p -61.21 143.42 55.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.489 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -32.45 -62.24 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.083 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.489 ' C ' ' O ' ' A' ' 67' ' ' ALA . 18.7 mtt180 -31.15 -63.49 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 64.4 m -63.22 -44.48 95.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 86.9 m -48.87 -46.11 42.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.164 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 72' ' ' GLN . 17.4 ptt180 -74.25 -29.47 61.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.435 ' N ' ' HG3' ' A' ' 71' ' ' ARG . 13.0 mm100 -67.69 -63.54 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 20.0 mtm -51.59 -38.5 54.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -76.22 112.47 12.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -106.32 -49.08 3.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.419 ' O ' ' C ' ' A' ' 77' ' ' ALA . 3.2 mtt -44.39 -24.3 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 79' ' ' LYS . . . 36.33 45.81 0.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -61.68 75.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 77' ' ' ALA . 0.5 OUTLIER -118.04 178.11 4.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -110.54 98.52 7.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -123.28 140.37 53.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 83' ' ' SER . 48.8 tptt -153.3 150.89 29.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.431 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 47.5 p 44.98 44.18 7.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -117.68 72.8 0.29 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.525 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 169.58 18.61 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.68 2.253 . . . . 0.0 112.31 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.8 t -106.97 91.12 3.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.9 m -128.63 127.43 42.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.482 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.2 p -81.38 127.96 33.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.811 0.339 . . . . 0.0 110.876 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.0 m -63.38 159.78 17.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.05 109.14 2.75 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 t -120.25 103.67 9.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.851 0.357 . . . . 0.0 110.847 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.8 p -90.29 42.12 1.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.825 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.18 161.05 35.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.488 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -110.34 162.42 14.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.748 0.308 . . . . 0.0 111.137 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -81.94 128.97 34.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -84.51 132.25 34.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.431 ' O ' ' C ' ' A' ' 12' ' ' ALA . 69.6 t80 -156.91 160.01 38.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 13' ' ' MET . . . -35.15 -63.54 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -35.36 -48.0 0.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 15' ' ' MET . 8.1 tp10 -60.29 -59.44 5.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.842 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.443 ' C ' ' O ' ' A' ' 14' ' ' GLU . 23.8 mmt -33.73 -48.34 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.06 42.86 91.89 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.462 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.703 ' O ' HD13 ' A' ' 33' ' ' LEU . 4.6 pp -114.46 18.31 16.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.804 0.335 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.514 ' HB2' ' HG3' ' A' ' 25' ' ' MET . . . -83.87 142.85 30.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.497 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.1 p -60.55 -175.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.841 HG12 ' O ' ' A' ' 42' ' ' LEU . 1.2 p -106.04 -20.69 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.622 HG21 ' HB3' ' A' ' 47' ' ' CYS . 98.9 t -65.94 -75.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.7 p -90.33 -12.03 38.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.8 mtt180 62.79 52.18 2.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.416 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 13.7 mm100 -133.38 169.81 16.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.514 ' HG3' ' HB2' ' A' ' 18' ' ' ALA . 2.5 mpt? -111.79 -11.29 13.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.3 m -52.25 126.45 18.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.181 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.8 m -138.62 -179.21 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -148.18 157.39 43.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.3 t -43.59 -38.66 3.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -95.31 -48.41 2.4 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.474 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -89.9 95.02 10.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.804 0.335 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.485 ' HB2' ' NE2' ' A' ' 45' ' ' GLN . 30.5 mm-40 -105.04 -176.14 2.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.703 HD13 ' O ' ' A' ' 17' ' ' LEU . 7.5 mt -97.16 158.54 15.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.641 HG11 ' CD2' ' A' ' 64' ' ' TRP . 19.1 t -133.41 152.18 34.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -124.63 121.39 34.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 23.4 t -65.62 164.32 14.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.538 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 16.1 mm-40 -103.85 -32.97 9.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -83.07 -60.68 2.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.3 p -82.45 -23.36 34.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 63.96 32.01 13.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -96.86 148.05 23.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.841 ' O ' HG12 ' A' ' 20' ' ' VAL . 94.3 mt -86.21 128.8 34.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.406 ' CE1' HG11 ' A' ' 20' ' ' VAL . 38.6 m-85 -133.34 121.32 22.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.591 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 1.8 m80 -65.37 124.21 21.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.818 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.485 ' NE2' ' HB2' ' A' ' 32' ' ' GLN . 60.8 mt-30 -34.15 -32.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.52 ' N ' ' O ' ' A' ' 44' ' ' HIS . 2.8 p-10 -89.88 -63.74 1.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.622 ' HB3' HG21 ' A' ' 21' ' ' VAL . 96.4 m -36.41 -39.0 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.8 t-80 -63.2 159.09 18.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.849 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.601 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 0.7 OUTLIER -62.4 -68.53 0.78 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.599 0.714 . . . . 0.0 110.895 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.601 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.9 Cg_endo -69.74 112.45 3.08 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.664 2.242 . . . . 0.0 112.361 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -48.88 101.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.2 t -83.7 139.14 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.9 p -101.82 174.79 5.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.44 ' C ' ' OD1' ' A' ' 58' ' ' ASN . 1.6 p-10 -75.93 -54.6 6.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -37.58 -31.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 54' ' ' ASP . 8.6 mt-10 -73.53 -72.51 0.26 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.859 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.598 ' CG1' HG22 ' A' ' 34' ' ' VAL . 32.9 m -47.73 -22.91 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.44 ' OD1' ' C ' ' A' ' 54' ' ' ASP . 20.8 m120 -66.04 -36.5 83.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.408 ' HB3' ' CB ' ' A' ' 62' ' ' LEU . 39.4 t0 -63.65 115.02 15.33 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.618 0.723 . . . . 0.0 110.844 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.64 -33.26 17.42 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.725 2.283 . . . . 0.0 112.384 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -99.31 34.77 2.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.408 ' CB ' ' HB3' ' A' ' 59' ' ' ASP . 0.9 OUTLIER -104.18 146.85 28.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.413 ' CG1' ' CE2' ' A' ' 65' ' ' TYR . 71.4 t -108.51 111.14 34.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.641 ' CD2' HG11 ' A' ' 34' ' ' VAL . 25.0 t90 -105.69 136.06 45.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.538 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 28.1 m-85 -133.66 126.44 30.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 67' ' ' ALA . 17.0 p -76.76 149.03 36.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.48 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -37.16 -60.13 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.097 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.48 ' C ' ' O ' ' A' ' 67' ' ' ALA . 7.3 mmm180 -31.58 -41.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.425 ' N ' ' O ' ' A' ' 67' ' ' ALA . 74.7 m -91.17 -43.03 10.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.6 m -48.99 -45.54 42.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.179 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -60.64 -29.99 69.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -71.76 -55.32 7.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 30.2 mtt -60.7 -36.34 78.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt -37.78 157.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.4 ptt-85 -65.37 -34.88 79.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.4 mmt -42.58 -26.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 78' ' ' GLN . . . -116.14 49.73 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 77' ' ' ALA . 10.2 pt20 -34.04 129.25 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.7 ptmm? -174.08 128.93 0.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 57.72 43.35 22.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -99.19 135.15 41.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 83' ' ' SER . 14.7 tttm -100.8 -54.58 2.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 82' ' ' LYS . 4.3 m -34.29 -60.36 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.854 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 145.57 87.0 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 97.54 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.662 2.241 . . . . 0.0 112.331 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.4 t -79.74 113.44 17.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.5 p -45.24 -45.24 11.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.475 179.968 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.6 m 55.51 44.88 26.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.867 0.365 . . . . 0.0 110.836 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.5 p -125.82 123.07 37.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.42 150.88 6.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.46 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 m -81.24 109.01 15.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.873 0.368 . . . . 0.0 110.893 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -73.41 -48.03 37.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.51 -146.84 18.78 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.471 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -144.78 174.8 10.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 111.078 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -160.0 146.26 15.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -60.06 141.36 55.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.423 ' O ' ' C ' ' A' ' 12' ' ' ALA . 20.1 t80 -157.34 170.39 22.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 13' ' ' MET . . . -35.87 -47.78 0.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.096 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 12' ' ' ALA . 38.6 mmm -34.38 -48.83 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -47.35 -62.87 1.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.452 ' HB3' HD23 ' A' ' 17' ' ' LEU . 67.5 mtm -61.1 -49.8 75.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.59 37.99 92.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.518 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.662 ' O ' HD12 ' A' ' 17' ' ' LEU . 4.4 pp -109.99 20.52 17.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.804 0.335 . . . . 0.0 110.951 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -93.82 148.0 22.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.076 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.487 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.4 p -62.02 -179.52 0.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.719 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -103.89 -16.46 7.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.878 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.592 HG21 ' HB3' ' A' ' 47' ' ' CYS . 67.5 t -70.08 -76.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.8 p -90.16 -14.95 32.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.8 mtm180 65.14 52.77 1.44 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.826 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -133.74 -176.98 4.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.702 ' O ' HG13 ' A' ' 27' ' ' VAL . 14.3 mtm -122.6 -19.93 6.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.8 m -41.89 125.22 2.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.143 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.702 HG13 ' O ' ' A' ' 25' ' ' MET . 30.1 m -140.79 172.69 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.88 176.22 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 83.6 p -44.75 104.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.58 -37.22 3.44 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -88.63 44.03 1.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.802 0.334 . . . . 0.0 110.873 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -81.97 -176.29 6.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.575 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 13.1 mt -103.81 157.26 17.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.465 HG11 ' CD2' ' A' ' 64' ' ' TRP . 20.3 t -137.83 154.81 29.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.406 ' N ' HG12 ' A' ' 34' ' ' VAL . 1.9 tm-20 -124.34 128.08 48.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 33.7 t -73.6 160.84 31.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.551 ' HG3' HG12 ' A' ' 63' ' ' VAL . 8.6 mm-40 -101.55 -24.34 14.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.413 ' O ' ' CD2' ' A' ' 40' ' ' HIS . 2.9 tt0 -88.47 -63.88 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.9 p -81.35 -26.82 35.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.413 ' CD2' ' O ' ' A' ' 38' ' ' GLU . 50.5 m-70 68.12 36.02 3.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -103.67 145.62 29.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.719 ' O ' HG12 ' A' ' 20' ' ' VAL . 44.3 mt -80.05 127.71 32.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.453 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 27.6 m-85 -132.63 114.83 14.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.575 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.9 m80 -60.67 124.76 21.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.853 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 44' ' ' HIS . 43.9 mt-30 -36.32 -29.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' A' ' 44' ' ' HIS . 11.8 t0 -90.76 -65.04 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.592 ' HB3' HG21 ' A' ' 21' ' ' VAL . 95.6 m -36.65 -38.54 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -63.51 155.41 29.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.599 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 8.7 mmtp -60.88 -68.35 0.82 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.595 0.712 . . . . 0.0 110.919 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.599 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 54.1 Cg_endo -69.74 109.87 2.41 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.684 2.256 . . . . 0.0 112.362 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -47.41 100.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 98.6 t -72.12 146.35 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 62.7 p -111.54 177.27 4.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.184 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -76.61 -45.35 30.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.923 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -43.03 -29.13 0.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -76.46 -70.23 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.7 m -48.21 -34.73 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -63.61 -37.41 87.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.458 ' HB3' ' CB ' ' A' ' 62' ' ' LEU . 2.9 m-20 -64.73 111.34 5.53 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.64 0.733 . . . . 0.0 110.866 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -42.92 2.97 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.671 2.247 . . . . 0.0 112.333 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -91.35 33.02 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.477 ' HG ' ' N ' ' A' ' 63' ' ' VAL . 0.1 OUTLIER -107.13 149.91 27.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.551 HG12 ' HG3' ' A' ' 37' ' ' GLN . 0.0 OUTLIER -112.9 123.82 68.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.829 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.465 ' CD2' HG11 ' A' ' 34' ' ' VAL . 14.2 t90 -107.49 131.21 54.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -126.93 118.91 25.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 67' ' ' ALA . 20.3 p -72.51 143.05 48.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.472 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -33.61 -57.05 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 67' ' ' ALA . 17.3 mmt180 -32.54 -46.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 67.1 m -83.18 -49.45 9.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.4 m -43.95 -49.4 8.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.129 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.41 ' HD3' ' C ' ' A' ' 71' ' ' ARG . 0.2 OUTLIER -62.8 -33.92 76.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -73.1 -63.48 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 5.1 mtm -47.66 -37.99 13.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -71.26 100.43 2.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.444 ' NH1' ' HB2' ' A' ' 75' ' ' ARG . 2.6 ptm85 -118.87 -38.0 3.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -87.76 30.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.13 -9.0 58.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -130.09 142.52 50.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.83 131.24 7.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -122.11 176.55 5.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -97.38 43.37 1.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 83' ' ' SER . 35.0 mtmt -130.0 147.54 51.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 82' ' ' LYS . 49.0 m -34.69 -58.64 0.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.836 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 153.8 63.92 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.492 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 103.34 1.15 Allowed 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.737 2.291 . . . . 0.0 112.339 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.8 p -136.85 147.09 46.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 97.7 p -156.64 117.32 3.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.087 -0.841 . . . . 0.0 112.503 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t -126.23 100.38 6.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.367 . . . . 0.0 110.874 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.9 p -115.33 172.62 6.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.89 -157.24 11.55 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.9 t -54.85 141.01 34.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.943 0.401 . . . . 0.0 110.826 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t -169.24 145.95 3.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.8 -141.69 8.21 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.501 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -128.87 -56.39 1.19 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.754 0.312 . . . . 0.0 111.076 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.402 ' OD1' ' CD2' ' A' ' 11' ' ' PHE . 2.6 p30 -119.2 34.34 5.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.913 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 39.15 54.87 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.832 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.402 ' CD2' ' OD1' ' A' ' 9' ' ' ASP . 0.3 OUTLIER -44.79 -71.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.555 ' HB1' ' HA2' ' A' ' 16' ' ' GLY . . . -108.13 -23.69 11.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.138 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.87 -33.1 16.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -59.15 -60.62 3.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.941 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.443 ' HB2' ' CD2' ' A' ' 17' ' ' LEU . 5.0 mmt -120.73 -44.61 2.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.555 ' HA2' ' HB1' ' A' ' 12' ' ' ALA . . . 75.99 62.99 2.5 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.495 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.613 ' O ' HD13 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -118.4 23.79 11.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.797 0.332 . . . . 0.0 110.886 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.609 ' HB2' ' HG3' ' A' ' 25' ' ' MET . . . -106.53 145.45 31.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.479 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.1 p -66.35 -177.77 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.803 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -105.32 -20.66 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.557 HG21 ' HB3' ' A' ' 47' ' ' CYS . 95.2 t -65.74 -75.77 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.0 p -90.36 -12.24 38.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 49.9 mtp85 62.12 52.47 3.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -130.69 172.05 12.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.609 ' HG3' ' HB2' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -115.78 -6.73 12.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.2 m -56.21 123.02 13.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.16 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.0 m -135.72 -176.53 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 29' ' ' SER . . . -159.8 149.18 17.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 28' ' ' ALA . 33.2 m -38.33 -40.16 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.2 -44.82 4.6 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.488 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -102.96 97.28 7.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.876 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.42 ' H ' ' CD ' ' A' ' 45' ' ' GLN . 11.5 mm100 -108.84 -174.4 2.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.613 HD13 ' O ' ' A' ' 17' ' ' LEU . 7.5 mt -96.27 164.05 12.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.674 HG11 ' CD2' ' A' ' 64' ' ' TRP . 15.7 t -138.77 155.79 27.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.152 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.414 ' N ' HG12 ' A' ' 34' ' ' VAL . 26.7 tt0 -128.72 128.69 44.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.0 t -76.54 162.98 27.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.478 ' HG3' HG13 ' A' ' 63' ' ' VAL . 8.2 mm-40 -104.25 -32.18 9.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -78.55 -58.17 3.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.449 ' C ' ' CD2' ' A' ' 40' ' ' HIS . 2.2 m -85.88 -33.37 21.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.449 ' CD2' ' C ' ' A' ' 39' ' ' CYS . 16.4 m-70 74.01 39.37 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -108.56 148.61 30.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.803 ' O ' HG12 ' A' ' 20' ' ' VAL . 70.5 mt -84.28 127.77 34.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -133.62 118.11 17.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.958 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.577 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.2 m80 -61.72 127.04 29.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.42 ' CD ' ' H ' ' A' ' 32' ' ' GLN . 25.3 mt-30 -36.71 -29.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 44' ' ' HIS . 5.9 t70 -93.12 -63.92 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.557 ' HB3' HG21 ' A' ' 21' ' ' VAL . 87.1 m -36.66 -39.35 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.512 ' CE1' ' HA ' ' A' ' 66' ' ' CYS . 1.8 t-80 -62.57 160.95 12.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.58 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 3.7 mmmt -64.28 -67.51 1.04 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.599 0.714 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.58 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.7 Cg_endo -69.73 110.92 2.67 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.7 2.267 . . . . 0.0 112.354 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -48.62 101.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.7 t -83.64 137.44 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.7 p -101.98 179.57 4.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -72.86 -49.22 31.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.69 -33.88 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -72.36 -72.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.522 HG12 HG22 ' A' ' 34' ' ' VAL . 16.0 m -46.28 -26.24 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -64.82 -50.2 67.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -60.29 110.56 2.97 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.636 0.731 . . . . 0.0 110.9 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -37.51 9.07 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.668 2.245 . . . . 0.0 112.346 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 42.7 mtt180 -88.98 29.27 1.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 tp -105.05 130.49 53.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.478 HG13 ' HG3' ' A' ' 37' ' ' GLN . 94.1 t -91.58 107.44 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.674 ' CD2' HG11 ' A' ' 34' ' ' VAL . 24.9 t90 -94.22 150.65 20.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.409 ' CZ ' ' HE1' ' A' ' 73' ' ' MET . 15.3 m-85 -140.07 144.51 36.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.512 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 26.6 p -96.65 140.99 30.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -30.1 -55.13 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 67' ' ' ALA . 2.5 mmm180 -34.82 -53.09 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 72' ' ' GLN . 22.7 p -85.56 -50.1 7.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.465 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 80.8 m -37.98 -54.91 1.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.408 ' NH1' ' HB3' ' A' ' 71' ' ' ARG . 3.3 ptp180 -52.4 -38.36 58.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 69' ' ' CYS . 47.2 mt-30 -68.31 -36.58 79.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.409 ' HE1' ' CZ ' ' A' ' 65' ' ' TYR . 8.2 mtt -80.16 -26.75 39.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 70' ' ' THR . 3.3 mmmm -38.7 146.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -65.94 -29.88 70.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 12.8 mtt -85.23 28.52 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -103.84 40.99 1.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.103 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -57.51 -32.72 67.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.9 pttp -83.57 44.07 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -109.65 79.47 1.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -42.54 156.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 56.1 tttt -82.86 140.78 32.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.6 p -131.71 -51.62 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.824 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.04 78.16 0.22 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 125.72 12.46 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.697 2.265 . . . . 0.0 112.316 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 33.2 p -49.83 -53.02 28.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.1 t -73.25 137.26 44.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.522 179.978 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.4 m -129.42 127.27 40.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.889 0.376 . . . . 0.0 110.867 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.8 p -117.24 150.3 38.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.67 -79.97 0.12 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 6' ' ' SER . 75.5 m -83.97 83.78 7.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.843 0.354 . . . . 0.0 110.864 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 5' ' ' SER . 3.4 m -36.23 115.05 0.32 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.71 -159.39 9.62 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.465 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -129.88 174.72 9.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.33 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -91.86 125.9 36.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.823 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.39 80.47 1.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.494 ' O ' ' N ' ' A' ' 13' ' ' MET . 0.7 OUTLIER -60.83 -35.96 77.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.498 ' HB1' HD21 ' A' ' 17' ' ' LEU . . . -37.49 -27.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.093 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.494 ' N ' ' O ' ' A' ' 11' ' ' PHE . 13.7 mmt -34.41 -58.47 0.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -45.47 -58.59 3.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 41.9 mtt -49.05 -46.55 44.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.06 65.01 1.73 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.548 ' O ' HD13 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -123.04 23.11 9.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.925 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.557 ' HB2' ' HG3' ' A' ' 25' ' ' MET . . . -112.87 144.71 41.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.071 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.469 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -63.79 -177.38 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 -179.895 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.767 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -105.51 -18.94 6.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 179.92 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.583 HG21 ' HB3' ' A' ' 47' ' ' CYS . 94.1 t -66.53 -75.65 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.1 p -90.77 -12.37 36.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 61.71 51.9 3.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -130.34 176.19 8.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.557 ' HG3' ' HB2' ' A' ' 18' ' ' ALA . 2.1 mpt? -117.95 -14.13 10.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.5 m -48.6 123.43 6.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.138 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.458 HG13 ' O ' ' A' ' 25' ' ' MET . 17.2 m -138.85 -175.67 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.164 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 29' ' ' SER . . . -157.82 157.88 34.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 28' ' ' ALA . 38.5 m -35.12 -46.27 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -92.71 -57.6 1.41 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.495 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 -75.01 90.35 2.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.77 0.319 . . . . 0.0 110.862 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.464 ' HB2' ' NE2' ' A' ' 45' ' ' GLN . 18.7 mm-40 -106.5 -174.78 2.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.585 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 9.3 mt -100.65 153.61 19.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.746 HG11 ' CD2' ' A' ' 64' ' ' TRP . 46.1 t -130.25 158.29 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.497 ' N ' HG12 ' A' ' 34' ' ' VAL . 1.4 tm-20 -130.06 131.06 45.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 37' ' ' GLN . 41.1 t -77.54 163.24 26.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.907 ' HG3' HG23 ' A' ' 63' ' ' VAL . 79.3 mm-40 -99.96 -35.87 9.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.7 -68.07 0.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.7 m -74.27 -25.97 59.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.522 ' CD2' ' O ' ' A' ' 37' ' ' GLN . 24.1 m-70 63.55 41.62 7.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -109.82 150.59 28.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.767 ' O ' HG12 ' A' ' 20' ' ' VAL . 66.0 mt -84.85 126.86 33.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -131.7 114.32 14.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.585 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.3 m80 -57.86 125.57 23.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.551 HE21 HG11 ' A' ' 57' ' ' VAL . 65.6 mt-30 -37.51 -27.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -93.61 -64.5 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.583 ' HB3' HG21 ' A' ' 21' ' ' VAL . 85.3 m -36.79 -38.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.414 ' CE1' ' HA ' ' A' ' 66' ' ' CYS . 1.8 t-80 -62.76 157.93 19.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.602 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 24.6 mtmt -62.69 -68.4 0.82 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.608 0.718 . . . . 0.0 110.949 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.602 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.8 Cg_endo -69.78 109.42 2.31 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.669 2.246 . . . . 0.0 112.337 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -46.82 102.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.52 HG11 HG21 ' A' ' 34' ' ' VAL . 92.3 t -76.52 138.37 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.084 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 64.7 p -97.24 176.41 5.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 56' ' ' GLU . 2.0 m-20 -75.03 -58.78 3.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 54' ' ' ASP . 8.0 pttm -33.94 -34.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 54' ' ' ASP . 8.5 mm-40 -62.37 -67.5 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.551 HG11 HE21 ' A' ' 45' ' ' GLN . 34.6 m -55.05 -33.32 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -56.95 -46.09 82.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.466 ' HB3' ' CB ' ' A' ' 62' ' ' LEU . 25.2 t0 -61.2 113.6 8.4 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.592 0.71 . . . . 0.0 110.857 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -39.6 6.47 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.37 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -94.46 35.09 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.484 ' HG ' ' N ' ' A' ' 63' ' ' VAL . 0.1 OUTLIER -100.99 150.27 23.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.907 HG23 ' HG3' ' A' ' 37' ' ' GLN . 7.1 p -113.28 109.88 30.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.746 ' CD2' HG11 ' A' ' 34' ' ' VAL . 39.7 t90 -101.13 152.61 20.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.548 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 41.9 m-85 -142.23 153.8 44.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.453 ' O ' ' C ' ' A' ' 67' ' ' ALA . 27.3 p -106.46 143.51 34.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.919 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -32.75 -54.53 0.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 67' ' ' ALA . 1.9 mmm180 -33.81 -48.34 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.839 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 72' ' ' GLN . 25.8 p -92.85 -48.68 6.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.473 HG22 ' HE3' ' A' ' 74' ' ' LYS . 15.4 m -41.7 -35.13 0.71 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.135 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.4 ' HD3' ' C ' ' A' ' 71' ' ' ARG . 0.6 OUTLIER -78.28 -34.27 48.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 69' ' ' CYS . 13.0 mm-40 -69.66 -59.28 3.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 8.9 mtm -48.0 -38.12 16.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.541 ' HB3' ' HB2' ' A' ' 77' ' ' ALA . 36.3 mttt -45.46 116.9 1.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -74.08 -40.07 63.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.451 ' HA ' ' CE ' ' A' ' 76' ' ' MET . 27.5 mmt -86.38 28.88 0.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.541 ' HB2' ' HB3' ' A' ' 74' ' ' LYS . . . -112.0 41.66 1.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.137 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -120.54 135.82 54.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -130.96 22.07 4.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -142.48 171.9 13.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.8 pm0 -94.98 146.52 24.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -150.41 155.17 39.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 72.7 p -78.82 -56.29 4.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.06 -98.75 1.07 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 173.35 11.12 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.315 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.1 p -75.98 -43.8 42.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.6 m -54.34 -54.43 40.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.114 -0.826 . . . . 0.0 112.468 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 p -95.85 146.38 24.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.895 0.378 . . . . 0.0 110.894 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.2 t -63.11 -51.38 66.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 63.79 151.46 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 4' ' ' GLY . 5.7 t -34.9 -55.53 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 0.0 110.862 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.1 t -85.51 162.54 18.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.806 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.9 49.47 0.49 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.448 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -101.08 164.61 11.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.833 0.349 . . . . 0.0 111.085 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -101.48 132.62 47.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -118.23 124.33 47.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.497 ' O ' ' N ' ' A' ' 13' ' ' MET . 0.7 OUTLIER -89.15 -34.71 16.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 13' ' ' MET . . . -36.42 -29.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.048 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.497 ' N ' ' O ' ' A' ' 11' ' ' PHE . 77.3 mmm -34.47 -53.6 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 15' ' ' MET . 39.8 tp10 -60.3 -63.1 1.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.434 ' C ' ' O ' ' A' ' 14' ' ' GLU . 9.1 mtp -34.49 -57.18 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.8 67.5 1.54 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.452 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.505 ' O ' HD13 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -122.2 22.91 10.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.84 0.352 . . . . 0.0 110.954 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.506 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -108.88 140.81 41.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.472 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -62.65 -177.33 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.778 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -106.26 -17.64 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.085 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.552 HG21 ' HB3' ' A' ' 47' ' ' CYS . 65.5 t -68.93 -75.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.4 p -90.51 -12.57 36.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.8 mtt85 63.29 51.01 2.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -132.04 173.31 11.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.406 ' O ' HG13 ' A' ' 27' ' ' VAL . 2.3 mpt? -115.41 -10.79 11.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 93.6 m -48.47 126.36 11.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.406 HG13 ' O ' ' A' ' 25' ' ' MET . 16.0 m -143.11 -176.97 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.175 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 29' ' ' SER . . . -161.36 164.58 29.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 28' ' ' ALA . 1.9 t -37.6 -40.5 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -104.28 -44.36 1.61 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.494 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -81.0 78.67 7.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.744 0.307 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -100.47 -174.89 2.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.552 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 10.0 mt -104.33 163.65 12.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 42' ' ' LEU . 3.5 t -138.27 151.84 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -123.96 122.65 38.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.846 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 23.8 t -66.92 164.7 16.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.455 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 20.3 mm-40 -103.91 -30.36 10.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.26 -62.74 1.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.3 p -82.21 -24.27 34.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 65.39 34.09 8.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -97.88 148.02 23.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.778 ' O ' HG12 ' A' ' 20' ' ' VAL . 92.8 mt -84.86 126.33 33.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -131.92 118.8 20.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.552 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.2 m80 -62.81 127.62 32.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -38.98 -25.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 44' ' ' HIS . 29.9 t70 -96.57 -64.09 1.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.552 ' HB3' HG21 ' A' ' 21' ' ' VAL . 88.0 m -36.0 -39.63 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.9 t-80 -61.91 156.11 21.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.602 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 3.8 mmtm -61.25 -68.29 0.84 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.53 0.681 . . . . 0.0 110.925 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.602 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 54.2 Cg_endo -69.77 109.27 2.27 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.713 2.275 . . . . 0.0 112.355 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -46.78 101.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.2 t -71.47 141.42 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 75.2 p -100.78 169.6 8.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.41 ' O ' ' ND2' ' A' ' 58' ' ' ASN . 0.7 OUTLIER -72.69 -44.17 62.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -44.93 -28.47 0.67 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -77.37 -70.91 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 33.0 m -43.87 -27.31 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 54' ' ' ASP . 81.7 m-20 -73.28 -51.67 16.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.425 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 2.0 m-20 -51.64 107.68 0.89 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.608 0.718 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 59' ' ' ASP . 53.6 Cg_endo -69.77 -24.06 30.03 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 2.256 . . . . 0.0 112.327 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.405 ' HD2' ' O ' ' A' ' 61' ' ' ARG . 1.2 ppt_? -107.05 28.29 8.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.411 ' HB2' ' HB3' ' A' ' 59' ' ' ASP . 2.3 tp -97.11 144.3 27.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.1 t -104.09 107.67 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 18.5 t90 -100.92 132.93 46.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.455 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 16.3 m-85 -130.58 116.85 18.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.4 p -67.8 144.9 55.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.462 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -38.78 -57.65 1.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.462 ' C ' ' O ' ' A' ' 67' ' ' ALA . 14.2 mmt180 -32.85 -41.06 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 86.7 m -86.75 -49.61 7.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.7 m -45.54 -42.32 10.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.126 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 72' ' ' GLN . 11.9 ptm180 -64.71 -36.15 83.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.434 ' N ' ' HG3' ' A' ' 71' ' ' ARG . 14.9 mm100 -68.39 -62.46 1.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 17.6 mtm -51.98 -38.0 55.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -63.15 145.23 55.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.934 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.511 ' NH2' ' HB3' ' A' ' 77' ' ' ALA . 2.9 ptm85 -57.54 -47.96 80.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.46 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 27.1 mtp 46.52 42.13 10.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.511 ' HB3' ' NH2' ' A' ' 75' ' ' ARG . . . -113.53 40.97 2.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.06 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -83.57 121.31 27.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.938 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -41.13 111.27 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -74.46 -54.33 7.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -80.86 43.23 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -145.25 117.9 8.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.1 m -114.52 93.49 4.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -117.72 71.78 0.29 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 102.86 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 2.259 . . . . 0.0 112.364 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 31.4 m -95.16 169.66 9.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 59.1 p -152.35 149.58 28.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 CA-C-O 119.132 -0.815 . . . . 0.0 112.525 179.977 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m -65.25 122.12 16.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.371 . . . . 0.0 110.857 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -107.6 108.84 20.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.08 170.92 2.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.503 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -93.33 -55.06 3.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.898 0.38 . . . . 0.0 110.868 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 t -72.16 -62.39 1.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.883 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.43 128.86 9.53 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -147.14 107.72 4.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 111.101 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.6 130.35 17.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -88.4 112.62 23.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.822 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.522 ' O ' ' N ' ' A' ' 13' ' ' MET . 0.1 OUTLIER -53.36 129.72 32.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.902 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 11' ' ' PHE . . . 35.73 29.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.522 ' N ' ' O ' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -130.41 -30.29 1.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -77.35 -38.28 50.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.672 ' HB3' HD23 ' A' ' 17' ' ' LEU . 29.0 mtp -72.88 -35.35 67.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.55 46.13 37.56 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.48 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.705 ' O ' HD12 ' A' ' 17' ' ' LEU . 4.2 pp -115.25 21.29 14.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.341 . . . . 0.0 110.909 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -96.23 147.08 24.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.473 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -61.87 -178.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.8 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -104.1 -18.34 6.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.145 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.592 HG21 ' HB3' ' A' ' 47' ' ' CYS . 89.4 t -67.72 -76.05 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.8 p -90.98 -12.04 37.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 61.77 52.16 3.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -129.16 172.28 11.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.474 ' HB3' HD11 ' A' ' 17' ' ' LEU . 37.0 mtp -116.35 -12.81 11.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 95.7 m -53.0 129.19 29.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.8 m -143.7 -179.31 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 29' ' ' SER . . . -154.45 150.9 28.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 28' ' ' ALA . 3.0 m -34.14 -36.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 28' ' ' ALA . . . -97.66 -49.15 1.85 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -88.99 87.69 7.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.802 0.334 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -103.95 -178.85 3.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.585 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 7.2 mt -97.16 164.3 12.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.981 HG22 HG12 ' A' ' 57' ' ' VAL . 10.6 t -138.92 153.46 25.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.066 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -122.73 128.07 50.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.451 ' SG ' ' N ' ' A' ' 37' ' ' GLN . 36.5 t -76.1 163.34 27.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.61 ' HG3' HG13 ' A' ' 63' ' ' VAL . 12.3 mm-40 -100.62 -36.82 9.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.963 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.432 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 0.2 OUTLIER -76.97 -69.38 0.53 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.839 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 40' ' ' HIS . 1.5 m -74.43 -23.75 58.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.462 ' CD2' ' O ' ' A' ' 37' ' ' GLN . 31.3 m-70 63.82 33.47 12.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.811 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -100.87 154.01 19.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.8 ' O ' HG12 ' A' ' 20' ' ' VAL . 55.8 mt -88.54 130.9 35.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -134.95 117.16 15.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.585 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.4 m80 -60.52 127.3 31.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.63 ' NE2' HG11 ' A' ' 57' ' ' VAL . 22.1 mt-30 -37.39 -28.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 44' ' ' HIS . 12.7 t0 -94.25 -64.88 1.03 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.592 ' HB3' HG21 ' A' ' 21' ' ' VAL . 91.2 m -34.9 -38.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.423 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.7 t-80 -61.97 158.35 16.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.807 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.595 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 34.1 mttt -63.73 -68.13 0.89 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.594 0.712 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.595 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.8 Cg_endo -69.87 110.43 2.57 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.626 2.218 . . . . 0.0 112.351 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -45.74 103.78 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.46 ' CG1' ' HG2' ' A' ' 45' ' ' GLN . 89.8 t -73.35 144.6 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.4 ' O ' ' OE1' ' A' ' 45' ' ' GLN . 63.7 p -94.98 176.99 6.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.91 -34.81 38.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -65.59 -43.2 90.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -55.58 -59.98 4.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.981 HG12 HG22 ' A' ' 34' ' ' VAL . 26.8 m -53.82 -36.33 29.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -67.48 -48.33 67.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -40.03 101.66 0.24 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.723 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -36.04 11.5 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.714 2.276 . . . . 0.0 112.329 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.9 ptp180 -100.13 34.93 2.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.0 tp -110.91 140.42 45.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.61 HG13 ' HG3' ' A' ' 37' ' ' GLN . 97.3 t -97.29 93.92 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.508 ' CD2' HG11 ' A' ' 34' ' ' VAL . 60.8 t90 -86.43 136.7 33.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.52 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 19.5 m-85 -126.18 148.48 49.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.463 ' O ' ' C ' ' A' ' 67' ' ' ALA . 27.4 p -99.22 140.49 33.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.463 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -30.9 -52.97 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 67' ' ' ALA . 14.5 mmt-85 -35.65 -50.5 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.437 ' SG ' ' O ' ' A' ' 66' ' ' CYS . 21.6 p -88.17 -48.64 7.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.3 m -41.31 -49.88 3.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.196 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 72' ' ' GLN . 9.2 ptp180 -58.27 -35.85 72.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.433 ' N ' ' HG3' ' A' ' 71' ' ' ARG . 61.5 mt-30 -69.39 -61.96 1.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.441 ' O ' ' C ' ' A' ' 74' ' ' LYS . 11.9 mtt -52.39 -41.42 63.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 73' ' ' MET . 18.5 mmtt -34.73 142.18 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.2 ptt-85 -89.85 -30.0 18.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 27.9 ttt -65.49 -12.48 53.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -109.1 35.98 3.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.107 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -79.23 135.01 36.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.32 22.98 5.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -105.59 162.05 13.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -86.11 -26.24 25.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -151.74 124.29 8.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.8 p -70.28 127.12 31.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -78.46 -101.77 0.21 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.449 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 101.97 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.354 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.8 m -160.61 120.36 2.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.9 m -92.43 42.38 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.825 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.182 -0.788 . . . . 0.0 112.488 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -147.23 147.2 30.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.905 0.383 . . . . 0.0 110.835 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 t -59.89 -60.97 2.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.04 -160.78 17.62 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.529 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.2 p -165.71 163.11 19.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.919 0.39 . . . . 0.0 110.824 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -45.27 122.14 3.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.11 107.6 3.4 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.46 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.26 160.39 32.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 0.0 111.058 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.16 88.17 6.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -154.99 145.32 22.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -152.81 145.49 24.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.464 ' O ' ' C ' ' A' ' 13' ' ' MET . . . -50.83 -45.37 59.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.072 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.464 ' C ' ' O ' ' A' ' 12' ' ' ALA . 4.5 mmt -32.68 -45.52 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -39.5 -62.42 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.54 ' HB3' HD23 ' A' ' 17' ' ' LEU . 3.7 mmt -84.95 -42.11 15.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.43 35.99 45.75 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.683 ' O ' HD12 ' A' ' 17' ' ' LEU . 4.0 pp -113.52 23.59 13.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.835 0.35 . . . . 0.0 110.893 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -101.43 143.43 31.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.089 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.488 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.9 p -62.9 178.46 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.791 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -104.56 -10.53 9.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.522 HG21 ' HB3' ' A' ' 47' ' ' CYS . 99.3 t -75.87 -75.66 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.6 p -90.84 -11.93 37.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 62.75 54.3 2.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -132.02 173.07 11.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.586 ' HB3' HD11 ' A' ' 17' ' ' LEU . 63.3 mtm -118.31 -2.98 11.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.6 m -56.78 124.25 17.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.204 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.0 m -144.28 166.27 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -174.62 170.78 3.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.2 p -45.74 123.51 4.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.57 -32.83 3.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.462 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -110.14 67.12 0.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.734 0.302 . . . . 0.0 110.929 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.426 ' HB2' ' NE2' ' A' ' 45' ' ' GLN . 23.6 mm-40 -96.57 -175.72 3.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.591 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 4.4 mt -102.79 156.45 17.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.564 HG11 ' CD2' ' A' ' 64' ' ' TRP . 14.5 t -134.01 155.65 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.41 ' N ' HG12 ' A' ' 34' ' ' VAL . 31.8 tt0 -123.38 134.58 53.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.6 t -82.86 158.07 22.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.595 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 75.5 mm-40 -93.78 -29.45 15.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.94 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.411 ' HB3' ' SG ' ' A' ' 69' ' ' CYS . 0.7 OUTLIER -86.29 -64.35 1.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 40' ' ' HIS . 3.9 m -71.38 -25.71 62.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.406 ' HB2' ' O ' ' A' ' 39' ' ' CYS . 54.6 m-70 63.68 26.52 14.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -98.89 -174.39 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.791 ' O ' HG12 ' A' ' 20' ' ' VAL . 45.4 mt -116.85 132.29 56.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.51 ' CE1' HG11 ' A' ' 20' ' ' VAL . 31.8 m-85 -132.59 114.9 14.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.591 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.7 m80 -58.88 124.17 18.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.754 HE21 HG21 ' A' ' 57' ' ' VAL . 39.4 mt-30 -32.78 -35.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 44' ' ' HIS . 23.1 t0 -86.55 -63.81 1.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.522 ' HB3' HG21 ' A' ' 21' ' ' VAL . 81.4 m -35.92 -36.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.428 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.8 t-80 -65.06 159.23 23.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.58 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 50.4 mttt -65.03 -67.56 1.01 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.576 0.703 . . . . 0.0 110.862 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.58 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.8 Cg_endo -69.73 109.28 2.27 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.354 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -46.09 102.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.96 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 50.7 t -84.91 148.37 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 81.3 p -112.13 167.34 10.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.149 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 55' ' ' LYS . 4.5 m-20 -67.9 -54.11 21.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 54' ' ' ASP . 3.0 ttmm -34.13 -41.6 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -68.46 -60.93 2.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.754 HG21 HE21 ' A' ' 45' ' ' GLN . 15.6 t -42.91 -36.98 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -61.34 -56.73 17.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.441 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 10.8 t0 -41.46 105.86 0.41 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.607 0.718 . . . . 0.0 110.918 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 59' ' ' ASP . 53.1 Cg_endo -69.77 -34.35 14.72 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.718 2.278 . . . . 0.0 112.301 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -92.69 29.26 1.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.426 ' CB ' ' HB3' ' A' ' 59' ' ' ASP . 7.5 tp -103.56 133.83 47.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.647 ' O ' HG13 ' A' ' 63' ' ' VAL . 13.6 p -95.79 106.6 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.564 ' CD2' HG11 ' A' ' 34' ' ' VAL . 21.1 t90 -98.84 132.34 44.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.595 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 17.1 m-85 -131.9 124.04 28.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 67' ' ' ALA . 14.1 p -65.25 145.52 56.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.474 ' O ' ' C ' ' A' ' 68' ' ' ARG . . . -35.43 -60.9 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.474 ' C ' ' O ' ' A' ' 67' ' ' ALA . 15.3 mmt180 -32.4 -42.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.411 ' SG ' ' HB3' ' A' ' 38' ' ' GLU . 76.1 m -84.62 -49.51 8.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.0 m -46.74 -47.19 20.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.472 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 0.9 OUTLIER -59.23 -33.35 70.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -73.52 -62.85 1.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.429 ' HE1' ' CZ ' ' A' ' 65' ' ' TYR . 43.5 mtt -46.14 -34.98 4.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.3 mmtp -53.36 140.45 27.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -31.97 66.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 6.4 mtm -61.51 -13.36 20.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 71' ' ' ARG . . . -121.54 46.63 2.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.104 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -63.62 134.96 56.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -104.66 143.86 32.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -46.89 -57.74 4.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -45.25 147.75 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -143.68 110.26 5.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.8 t -74.11 136.21 42.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.858 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -76.14 -109.33 0.12 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 151.87 69.46 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.344 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 95.5 p -152.76 125.74 8.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.846 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.7 m -93.7 98.77 11.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.512 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -108.66 177.02 4.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.856 0.36 . . . . 0.0 110.845 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -45.39 115.71 0.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.48 96.15 0.74 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.493 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.6 p -123.31 146.93 47.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.921 0.391 . . . . 0.0 110.861 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m -81.64 -48.23 11.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.854 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.24 124.84 1.97 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -133.07 146.09 51.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 111.077 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -63.33 109.78 1.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -107.57 139.02 42.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.53 -72.37 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.548 ' HB1' HD21 ' A' ' 17' ' ' LEU . . . -104.59 -33.91 8.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.15 -31.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 15' ' ' MET . 19.7 mt-10 -68.25 -63.35 1.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.47 ' HB2' ' CD2' ' A' ' 17' ' ' LEU . 44.9 mtm -35.55 -37.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.537 ' O ' HD11 ' A' ' 42' ' ' LEU . . . 87.56 57.76 1.92 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.548 HD21 ' HB1' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -114.29 21.42 14.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.814 0.34 . . . . 0.0 110.906 -179.906 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.568 ' HB2' ' CG ' ' A' ' 25' ' ' MET . . . -113.66 139.43 49.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.471 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.2 p -58.07 179.52 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.826 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -104.21 -16.33 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.09 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.586 HG21 ' HB3' ' A' ' 47' ' ' CYS . 99.6 t -69.07 -75.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.0 p -90.54 -15.87 29.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.4 mtm-85 66.83 50.68 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -126.0 163.65 22.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.568 ' CG ' ' HB2' ' A' ' 18' ' ' ALA . 14.2 mtm -114.76 1.24 14.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.9 m -73.53 128.47 35.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.127 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.8 m -138.18 -175.57 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -148.22 -175.12 4.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.075 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.6 p -61.23 -57.0 14.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.04 -41.89 8.38 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.5 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 -90.37 95.1 10.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.762 0.315 . . . . 0.0 110.89 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.48 ' HB2' ' NE2' ' A' ' 45' ' ' GLN . 24.1 mm-40 -109.05 -174.5 2.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.59 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 3.7 mt -101.73 161.47 13.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.64 HG11 ' CD2' ' A' ' 64' ' ' TRP . 16.4 t -136.77 159.88 37.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.483 ' N ' HG12 ' A' ' 34' ' ' VAL . 31.1 tt0 -134.82 126.65 29.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.4 t -71.1 162.32 29.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.85 ' HG3' HG23 ' A' ' 63' ' ' VAL . 20.2 mm-40 -98.68 -34.53 10.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.958 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.67 -68.67 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.813 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.9 m -72.1 -25.1 61.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 63.16 38.72 10.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -105.84 149.76 26.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.826 ' O ' HG12 ' A' ' 20' ' ' VAL . 68.2 mt -85.45 131.66 34.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -136.22 116.12 13.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.965 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.59 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.1 m80 -60.04 125.79 25.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.597 HE21 HG11 ' A' ' 57' ' ' VAL . 82.4 mt-30 -34.9 -31.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.508 ' N ' ' O ' ' A' ' 44' ' ' HIS . 32.2 t0 -91.09 -65.33 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.586 ' HB3' HG21 ' A' ' 21' ' ' VAL . 84.8 m -34.84 -40.02 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.845 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.434 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.9 t-80 -63.07 156.78 23.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.598 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 20.3 mttt -62.24 -68.29 0.85 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.564 0.697 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.598 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.8 Cg_endo -69.78 111.21 2.75 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.671 2.247 . . . . 0.0 112.332 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -47.57 101.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.447 HG11 HG21 ' A' ' 34' ' ' VAL . 38.2 t -81.31 137.42 21.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 75.7 p -92.06 -175.28 4.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.653 ' O ' HG22 ' A' ' 57' ' ' VAL . 0.8 OUTLIER -86.56 -37.65 17.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -62.88 -40.39 97.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.87 ' O ' HD23 ' A' ' 62' ' ' LEU . 8.3 mt-10 -57.74 -46.49 84.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.653 HG22 ' O ' ' A' ' 54' ' ' ASP . 18.7 m -71.45 -28.25 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -73.51 -46.45 47.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.401 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 34.7 t0 -48.54 107.41 0.75 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.658 0.742 . . . . 0.0 110.801 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 59' ' ' ASP . 53.4 Cg_endo -69.77 -30.14 22.71 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.706 2.271 . . . . 0.0 112.333 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -91.26 23.96 3.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.87 HD23 ' O ' ' A' ' 56' ' ' GLU . 21.5 tp -115.46 131.54 56.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.929 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.85 HG23 ' HG3' ' A' ' 37' ' ' GLN . 12.2 p -98.75 103.44 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.64 ' CD2' HG11 ' A' ' 34' ' ' VAL . 19.9 t90 -82.1 146.88 29.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -137.8 151.92 48.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.935 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.457 ' O ' ' C ' ' A' ' 67' ' ' ALA . 26.9 p -100.27 139.19 36.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -31.92 -52.28 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.089 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 67' ' ' ALA . 7.0 mmt180 -36.74 -49.8 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 66' ' ' CYS . 25.6 p -88.85 -48.58 7.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.7 m -40.74 -47.86 2.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.11 -38.19 85.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 69' ' ' CYS . 53.9 mm-40 -69.55 -64.22 0.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 12.6 mtt -46.37 -36.31 6.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.522 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 20.6 mttp -64.11 -48.12 77.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 74' ' ' LYS . 66.4 mtt180 -34.31 -63.54 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.459 ' HG3' ' N ' ' A' ' 77' ' ' ALA . 15.8 ptp -62.74 -48.25 80.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.522 ' HB2' ' O ' ' A' ' 74' ' ' LYS . . . 42.24 44.1 3.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.129 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -44.12 138.43 2.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -95.76 167.49 11.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 81' ' ' GLN . 4.1 p30 -106.81 78.9 1.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 80' ' ' ASN . 30.0 mt-30 34.26 42.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.1 mmmt -64.93 -46.9 79.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.2 m -96.7 172.54 7.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -87.24 -124.37 1.87 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 102.95 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.378 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.0 t -161.84 128.7 3.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.7 t -67.51 106.42 2.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.496 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.3 m -142.52 109.36 5.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.909 0.385 . . . . 0.0 110.896 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.0 p -135.64 153.49 51.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.33 -140.61 32.22 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.6 p -172.27 128.08 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.842 0.353 . . . . 0.0 110.848 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 m -123.85 137.97 54.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.12 114.08 3.21 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.471 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 9' ' ' ASP . . . -149.29 138.14 21.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.785 0.326 . . . . 0.0 111.085 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 8' ' ' ALA . 82.1 m-20 -37.91 129.56 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.74 -33.34 75.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.841 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.557 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 2.8 t80 -149.78 -174.98 4.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 11' ' ' PHE . . . 74.99 28.23 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.067 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.443 ' HG2' ' N ' ' A' ' 14' ' ' GLU . 6.6 ptm -91.52 -42.73 10.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.857 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.443 ' N ' ' HG2' ' A' ' 13' ' ' MET . 14.9 mt-10 -71.99 -52.62 16.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 96.6 mmm -79.44 -44.07 22.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.32 49.23 38.82 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.643 ' O ' HD13 ' A' ' 33' ' ' LEU . 4.3 pp -112.51 13.07 20.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.812 0.339 . . . . 0.0 110.882 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.8 143.89 29.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.459 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.3 p -59.64 -176.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.774 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -106.06 -17.09 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.614 HG21 ' HB3' ' A' ' 47' ' ' CYS . 98.1 t -69.02 -75.28 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.4 p -91.38 -15.87 28.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.6 mtt-85 65.24 54.84 1.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.855 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -133.08 172.75 12.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.47 ' O ' HG13 ' A' ' 27' ' ' VAL . 2.8 mpp? -113.88 -18.73 11.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.2 m -46.0 121.95 3.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.47 HG13 ' O ' ' A' ' 25' ' ' MET . 12.6 m -136.36 177.32 6.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.166 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -174.09 167.76 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.9 m -47.04 122.57 4.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.845 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.42 -40.24 2.84 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.435 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -98.39 59.59 1.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.773 0.321 . . . . 0.0 110.885 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -91.8 -174.59 3.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.951 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.643 HD13 ' O ' ' A' ' 17' ' ' LEU . 6.9 mt -101.08 143.22 31.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.582 HG11 ' CD2' ' A' ' 64' ' ' TRP . 6.1 t -118.17 155.82 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -127.04 122.19 33.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 37' ' ' GLN . 34.6 t -70.94 162.74 28.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.539 ' O ' ' CD2' ' A' ' 40' ' ' HIS . 51.9 mm-40 -101.12 -37.01 8.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -74.77 -69.39 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -74.27 -23.42 59.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.539 ' CD2' ' O ' ' A' ' 37' ' ' GLN . 25.7 m-70 63.5 36.43 11.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.825 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -104.94 150.64 24.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.774 ' O ' HG12 ' A' ' 20' ' ' VAL . 62.6 mt -86.73 128.02 35.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -132.11 114.58 14.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.581 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.0 m80 -56.6 127.73 32.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.44 ' OE1' ' C ' ' A' ' 52' ' ' VAL . 11.8 mt-30 -38.77 -25.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 44' ' ' HIS . 3.5 t0 -96.82 -65.03 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.614 ' HB3' HG21 ' A' ' 21' ' ' VAL . 89.6 m -34.31 -39.86 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.412 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.8 t-80 -60.02 161.11 7.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.591 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 2.2 mmmp? -64.87 -67.97 0.91 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.571 0.7 . . . . 0.0 110.904 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.591 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.8 Cg_endo -69.72 109.63 2.35 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.662 2.241 . . . . 0.0 112.323 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -46.8 99.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.44 ' C ' ' OE1' ' A' ' 45' ' ' GLN . 25.6 t -75.36 139.95 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.8 p -105.43 173.8 6.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 55' ' ' LYS . 18.3 m-20 -67.39 -58.7 4.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 54' ' ' ASP . 43.5 mmtt -33.54 -37.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 54' ' ' ASP . 13.1 mm-40 -71.26 -74.92 0.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.54 HG12 HG22 ' A' ' 34' ' ' VAL . 28.6 m -47.45 -21.21 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.428 ' ND2' ' HB3' ' A' ' 54' ' ' ASP . 17.8 m-20 -72.55 -43.58 63.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.447 ' HB3' ' CB ' ' A' ' 62' ' ' LEU . 10.2 t0 -58.7 110.14 2.4 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.609 0.719 . . . . 0.0 110.866 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 59' ' ' ASP . 53.1 Cg_endo -69.86 -36.76 9.97 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.317 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 61' ' ' ARG . 19.1 mtm105 -93.78 31.62 1.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.447 ' CB ' ' HB3' ' A' ' 59' ' ' ASP . 3.5 tp -105.78 138.71 41.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.513 HG13 ' HG3' ' A' ' 37' ' ' GLN . 91.9 t -98.39 101.05 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.582 ' CD2' HG11 ' A' ' 34' ' ' VAL . 23.7 t90 -87.96 151.64 22.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -142.05 147.27 36.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 67' ' ' ALA . 30.5 p -98.98 141.35 31.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -30.98 -52.54 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.091 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 67' ' ' ALA . 3.8 mmm180 -36.32 -51.94 0.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 72' ' ' GLN . 20.9 p -86.48 -49.8 7.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 27.2 m -39.64 -47.99 2.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.406 ' HD3' ' C ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -59.63 -35.67 74.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 69' ' ' CYS . 30.2 mm-40 -68.84 -62.14 1.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 17.2 mtt -54.05 -40.87 67.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -62.99 136.77 58.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.6 ptp85 -116.84 -27.86 6.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 81.8 mmm -64.78 -12.65 49.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -96.51 42.12 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.474 HE21 ' NE2' ' A' ' 81' ' ' GLN . 14.0 pt20 -115.3 147.91 39.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -128.03 170.71 12.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 62.64 52.51 2.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.474 ' NE2' HE21 ' A' ' 78' ' ' GLN . 19.6 pt20 -125.88 132.93 52.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.96 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -125.48 85.76 2.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.9 t -131.52 40.71 3.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.841 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.412 ' HA2' ' HD2' ' A' ' 85' ' ' PRO . . . 77.36 96.38 0.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.496 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.412 ' HD2' ' HA2' ' A' ' 84' ' ' GLY . 54.0 Cg_endo -69.7 -0.42 6.83 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.727 2.284 . . . . 0.0 112.356 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 95.1 p -106.1 106.54 17.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.5 t -124.9 121.41 34.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.171 -0.794 . . . . 0.0 112.489 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t -171.48 122.23 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 0.0 110.838 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t -153.5 118.69 5.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.68 84.53 0.34 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.509 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.7 t -103.55 114.76 29.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.861 0.362 . . . . 0.0 110.871 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -59.41 122.4 13.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.43 -132.17 38.85 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.472 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -161.98 117.57 1.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 111.093 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -70.92 153.05 43.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.83 161.59 30.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -157.13 152.81 26.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -46.82 -44.77 19.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.439 ' O ' ' C ' ' A' ' 14' ' ' GLU . 0.9 OUTLIER -40.23 -46.44 2.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 13' ' ' MET . 6.3 mm-40 -34.65 -66.99 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.2 mmt -82.96 -47.81 11.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.4 68.27 1.49 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.421 HD23 ' N ' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -125.48 23.27 7.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.796 0.332 . . . . 0.0 110.885 -179.918 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.47 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -119.56 142.6 48.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.082 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.476 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.8 p -63.44 179.98 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.782 HG12 ' O ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -104.47 -16.01 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.61 HG21 ' HB3' ' A' ' 47' ' ' CYS . 86.9 t -70.39 -75.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.1 p -90.54 -12.17 37.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 62.78 53.62 2.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -132.06 167.65 19.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.468 ' SD ' ' HB2' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -111.85 -15.59 13.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.2 t -48.82 142.93 5.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.191 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.2 m -154.76 175.17 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.05 167.36 3.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 m -50.0 122.74 7.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.31 -32.56 5.15 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.448 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -114.04 69.04 0.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.33 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.465 ' HB2' ' NE2' ' A' ' 45' ' ' GLN . 0.6 OUTLIER -93.99 179.12 5.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.594 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 10.1 mt -97.9 159.31 15.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.675 HG22 ' CG1' ' A' ' 57' ' ' VAL . 4.5 t -138.26 155.33 28.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.079 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -128.07 121.84 30.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.488 ' SG ' ' N ' ' A' ' 37' ' ' GLN . 10.8 t -69.27 163.2 25.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.633 ' HG3' HG13 ' A' ' 63' ' ' VAL . 70.9 mm-40 -98.94 -40.13 8.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.16 -71.24 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.0 m -70.04 -24.92 63.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.594 ' CD2' ' O ' ' A' ' 37' ' ' GLN . 27.0 m-70 63.53 34.61 12.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -102.65 153.8 19.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.782 ' O ' HG12 ' A' ' 20' ' ' VAL . 64.9 mt -89.95 129.53 36.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.404 ' CD1' ' HD2' ' A' ' 48' ' ' HIS . 28.6 m-85 -133.43 116.58 16.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.594 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.2 m80 -61.24 126.22 26.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.889 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.465 ' NE2' ' HB2' ' A' ' 32' ' ' GLN . 46.9 mt-30 -34.35 -33.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 44' ' ' HIS . 21.5 t0 -89.11 -65.28 1.03 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.61 ' HB3' HG21 ' A' ' 21' ' ' VAL . 94.2 m -35.25 -38.21 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.418 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.8 t-80 -63.73 154.53 32.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.817 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.607 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 0.2 OUTLIER -60.23 -69.0 0.62 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.584 0.707 . . . . 0.0 110.921 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.607 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.3 Cg_endo -69.81 112.13 3.0 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -47.53 103.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.494 HG12 ' N ' ' A' ' 53' ' ' THR . 98.7 t -77.1 156.98 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.494 ' N ' HG12 ' A' ' 52' ' ' VAL . 34.7 p -107.94 -176.6 3.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.147 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.507 ' O ' ' ND2' ' A' ' 58' ' ' ASN . 9.8 t0 -92.37 -29.6 16.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.3 mttt -70.43 -37.38 74.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.686 ' O ' HD23 ' A' ' 62' ' ' LEU . 5.3 mm-40 -63.24 -60.5 3.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.844 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.675 ' CG1' HG22 ' A' ' 34' ' ' VAL . 20.3 m -55.1 -33.18 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.092 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 54' ' ' ASP . 26.4 m-20 -68.47 -39.44 81.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.488 ' HB3' ' CB ' ' A' ' 62' ' ' LEU . 4.2 m-20 -51.06 107.43 0.82 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.648 0.737 . . . . 0.0 110.915 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -29.7 23.59 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.67 2.246 . . . . 0.0 112.342 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.415 ' HG3' ' H ' ' A' ' 61' ' ' ARG . 3.0 ppt_? -100.6 26.65 6.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.686 HD23 ' O ' ' A' ' 56' ' ' GLU . 15.1 tp -110.36 134.52 52.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.633 HG13 ' HG3' ' A' ' 37' ' ' GLN . 81.1 t -96.45 102.03 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.502 ' CD2' HG11 ' A' ' 34' ' ' VAL . 62.8 t90 -91.01 132.43 36.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.948 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -121.66 148.43 44.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.914 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.466 ' O ' ' C ' ' A' ' 67' ' ' ALA . 30.7 p -98.74 142.05 30.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.876 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.466 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -32.2 -51.25 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.405 ' HB2' ' SG ' ' A' ' 66' ' ' CYS . 9.2 mmt180 -37.86 -50.03 1.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 72' ' ' GLN . 21.5 p -89.0 -50.34 6.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 89.1 m -39.9 -46.28 1.99 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -59.34 -36.6 75.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 69' ' ' CYS . 87.9 mt-30 -68.18 -58.61 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 22.1 mtt -51.56 -36.18 44.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.9 mttp -47.46 -53.67 13.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.0 mtp180 -38.07 -46.95 1.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.8 mtt 53.56 46.24 26.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 78' ' ' GLN . . . -101.89 50.06 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 77' ' ' ALA . 8.7 mt-30 36.48 44.03 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt -95.78 95.38 8.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -127.49 125.01 39.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.954 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -107.29 161.4 14.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.71 143.08 54.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.7 m -111.29 139.3 46.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -118.27 -97.31 1.84 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.539 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -1.61 8.78 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.687 2.258 . . . . 0.0 112.344 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.47 159.98 25.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.2 t -68.45 156.54 37.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.848 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.132 -0.816 . . . . 0.0 112.507 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m -56.76 133.33 54.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.872 0.368 . . . . 0.0 110.868 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.6 m -135.73 117.3 14.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.906 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.64 -148.1 7.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.508 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 t -135.89 173.32 11.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.871 0.367 . . . . 0.0 110.842 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 m -129.29 42.4 3.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.07 63.63 0.27 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.478 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -47.83 -46.33 30.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.798 0.333 . . . . 0.0 111.062 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -39.78 138.07 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -121.54 98.91 6.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -79.12 -72.17 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -106.59 -0.47 23.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -31.48 72.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -42.46 -66.1 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.491 ' HB2' ' CD2' ' A' ' 17' ' ' LEU . 5.0 mtp -71.23 -25.8 62.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.27 58.18 8.33 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.439 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.491 ' CD2' ' HB2' ' A' ' 15' ' ' MET . 0.4 OUTLIER -115.73 25.36 10.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.37 . . . . 0.0 110.956 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.428 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -114.06 138.95 49.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.062 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.485 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 1.3 p -63.51 -176.51 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.831 HG12 ' O ' ' A' ' 42' ' ' LEU . 1.3 p -105.9 -21.13 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.157 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.547 HG21 ' HB3' ' A' ' 47' ' ' CYS . 58.6 t -65.82 -75.24 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.116 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 16.9 p -90.6 -14.43 32.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.7 mtm-85 63.91 53.89 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.427 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 53.8 mm-40 -135.32 171.39 14.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -113.93 -9.59 13.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.0 m -52.43 118.23 3.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.9 m -135.12 -178.12 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 30' ' ' GLY . . . -164.66 157.99 17.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.078 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 28' ' ' ALA . 68.6 m -35.7 -33.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 28' ' ' ALA . . . -103.86 -46.28 1.4 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.482 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 -88.43 80.6 7.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.754 0.311 . . . . 0.0 110.928 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -99.6 -175.82 3.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.969 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.564 ' HG ' ' CD2' ' A' ' 44' ' ' HIS . 11.5 mt -105.83 161.24 14.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.946 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.595 HG22 HG23 ' A' ' 57' ' ' VAL . 16.1 t -140.28 155.35 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.406 ' N ' HG12 ' A' ' 34' ' ' VAL . 22.8 tt0 -126.12 130.69 51.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.415 ' SG ' ' N ' ' A' ' 37' ' ' GLN . 42.0 t -75.91 163.68 26.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.878 ' HG3' HG13 ' A' ' 63' ' ' VAL . 8.7 mm-40 -102.72 -34.33 9.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.489 ' O ' ' CD2' ' A' ' 40' ' ' HIS . 3.6 tp10 -77.11 -62.36 1.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.462 ' C ' ' CD2' ' A' ' 40' ' ' HIS . 1.8 m -82.3 -33.44 29.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.847 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.489 ' CD2' ' O ' ' A' ' 38' ' ' GLU . 17.1 m-70 75.0 36.6 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -103.01 152.32 21.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.831 ' O ' HG12 ' A' ' 20' ' ' VAL . 71.5 mt -87.13 128.0 35.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.402 ' HB2' ' CH2' ' A' ' 64' ' ' TRP . 28.6 m-85 -134.66 117.55 16.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.564 ' CD2' ' HG ' ' A' ' 33' ' ' LEU . 2.4 m80 -60.67 128.37 36.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.539 ' OE1' HG12 ' A' ' 52' ' ' VAL . 15.0 mt-30 -38.89 -25.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 44' ' ' HIS . 14.7 t70 -96.82 -63.78 1.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.547 ' HB3' HG21 ' A' ' 21' ' ' VAL . 92.4 m -35.79 -40.28 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' A' ' 46' ' ' ASP . 1.8 t-80 -61.77 157.19 18.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.612 ' CB ' ' CD ' ' A' ' 50' ' ' PRO . 13.3 mmtp -61.24 -68.69 0.73 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.573 0.701 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.612 ' CD ' ' CB ' ' A' ' 49' ' ' LYS . 53.9 Cg_endo -69.76 109.05 2.22 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.714 2.276 . . . . 0.0 112.362 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -46.71 103.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.539 HG12 ' OE1' ' A' ' 45' ' ' GLN . 26.7 t -75.92 123.49 32.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.7 p -85.68 159.99 19.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 55' ' ' LYS . 5.6 t0 -60.33 -58.32 9.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 54' ' ' ASP . 10.8 tttt -32.96 -37.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.854 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 54' ' ' ASP . 4.2 mm-40 -77.64 -57.75 3.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.595 HG23 HG22 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -46.76 -33.26 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.14 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -68.17 -55.01 13.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -41.28 101.83 0.25 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.621 0.724 . . . . 0.0 110.881 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -32.27 18.93 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.699 2.266 . . . . 0.0 112.341 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.8 mtt85 -95.81 29.46 2.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.2 tp -105.07 125.46 51.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.878 HG13 ' HG3' ' A' ' 37' ' ' GLN . 96.2 t -83.31 100.96 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.503 ' CD2' HG11 ' A' ' 34' ' ' VAL . 16.5 t90 -87.61 147.28 25.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -135.3 144.38 46.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.465 ' O ' ' SG ' ' A' ' 69' ' ' CYS . 30.6 p -99.28 143.23 29.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 66' ' ' CYS . . . -34.66 -47.94 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.414 ' HB2' ' SG ' ' A' ' 66' ' ' CYS . 11.3 mmt180 -39.86 -49.91 2.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.465 ' SG ' ' O ' ' A' ' 66' ' ' CYS . 15.0 p -86.88 -47.22 9.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 50.8 m -41.35 -45.15 2.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 72' ' ' GLN . 9.2 ptm180 -59.12 -35.73 73.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 69' ' ' CYS . 10.4 mm-40 -69.45 -62.55 1.33 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 26.3 mtt -45.32 -37.72 5.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -67.1 137.31 56.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 76' ' ' MET . 17.7 ptt180 -86.1 -39.86 16.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.441 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 54.4 mmm -88.01 30.37 0.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -129.81 41.08 3.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.081 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -129.46 149.68 51.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 33.9 mtmt -127.36 110.65 13.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.9 p30 44.06 41.76 4.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -89.43 145.71 25.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -95.86 41.46 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.8 m -136.74 167.74 20.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -158.72 88.99 0.11 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.528 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 168.93 20.07 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 2.262 . . . . 0.0 112.335 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.3 p -96.6 155.95 16.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 t -147.28 172.07 14.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.832 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.139 -0.812 . . . . 0.0 112.465 179.944 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_