data_1x4r_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 1x4r _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 ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.826 0.346 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.565 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 55.7 m95 -128.68 121.34 28.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -129.48 150.77 50.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 16.3 p90 -116.5 139.41 50.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.471 HD11 ' NE2' ' A' ' 88' ' ' GLN . 2.2 mp -95.55 106.23 18.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.521 ' N ' ' O ' ' A' ' 36' ' ' ILE . 43.9 t0 -73.57 167.58 21.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.506 ' C ' ' O ' ' A' ' 33' ' ' ASP . 19.5 mttm -28.95 -72.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -122.96 19.17 10.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.521 ' O ' ' N ' ' A' ' 33' ' ' ASP . 2.4 mp -132.32 149.03 31.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.7 m -119.54 97.91 5.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -113.84 174.78 5.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.7 p -123.57 160.89 26.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 31' ' ' TYR . 98.7 m-85 -80.68 162.06 24.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.18 166.95 5.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.03 -21.48 66.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 19.5 ptp -88.02 -38.83 15.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.4 m -76.95 -37.28 55.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.185 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.49 ' OD1' ' N ' ' A' ' 29' ' ' TRP . 27.2 t30 -41.6 -40.16 1.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.407 ' CG ' ' N ' ' A' ' 47' ' ' LYS . 5.4 ptp -78.18 -42.51 31.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.407 ' N ' ' CG ' ' A' ' 46' ' ' MET . 59.6 mttt -44.39 -27.06 0.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.5 mt -89.73 -53.4 4.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.444 ' HA ' ' CZ2' ' A' ' 29' ' ' TRP . 5.1 pt-20 -51.49 -43.53 62.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.421 ' N ' ' CG ' ' A' ' 49' ' ' GLU . 8.5 m -57.46 -33.58 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.418 ' C ' HD12 ' A' ' 72' ' ' LEU . . . -78.71 -31.35 46.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.593 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 10.5 t90 -75.55 -29.0 59.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -89.49 -32.47 17.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.93 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.14 4.6 5.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.115 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt 64.03 35.14 10.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -79.33 164.55 23.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -93.07 -35.92 12.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.862 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -165.73 148.21 7.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.0 t -128.79 136.98 51.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 68' ' ' PHE . 42.0 t -92.02 136.53 24.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 31.0 m -140.44 151.55 21.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.7 mp0 -80.63 105.76 12.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.47 HG21 ' CD2' ' A' ' 64' ' ' HIS . 84.2 mt -118.47 122.76 70.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.47 ' CD2' HG21 ' A' ' 63' ' ' ILE . 12.0 m170 63.53 33.86 13.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.83 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 68.88 26.29 5.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.459 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 1.4 pt20 -146.41 130.28 17.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -61.61 131.93 51.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.581 ' CE2' ' HB2' ' A' ' 79' ' ' ALA . 4.0 m-85 -129.35 153.45 47.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 39.9 m -102.7 108.54 19.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.108 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 84.2 t -96.66 114.06 32.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 75' ' ' ASN . 1.5 t70 -91.85 120.41 32.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.418 HD12 ' C ' ' A' ' 51' ' ' ALA . 6.5 mt -72.35 -42.63 65.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.8 t -42.21 -51.35 4.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.428 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 9.3 t -103.28 -18.27 14.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.121 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 71' ' ' ASP . 1.2 m120 68.79 55.03 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.499 ' CG2' ' O ' ' A' ' 85' ' ' PHE . 93.2 m -144.4 137.13 26.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.418 ' N ' HG22 ' A' ' 76' ' ' THR . . . -92.84 149.84 21.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.051 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.453 HG21 ' N ' ' A' ' 79' ' ' ALA . 22.0 m -152.52 145.29 24.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.581 ' HB2' ' CE2' ' A' ' 68' ' ' PHE . . . -136.06 154.61 77.62 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.623 0.725 . . . . 0.0 111.077 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 1.21 4.65 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.625 2.217 . . . . 0.0 112.366 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -86.93 -37.1 17.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 124.97 32.66 0.79 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.467 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -132.19 134.78 45.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.894 0.378 . . . . 0.0 110.906 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 51.4 p -134.62 147.13 50.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.575 ' CE2' ' CE2' ' A' ' 68' ' ' PHE . 1.5 m-85 -139.03 175.17 9.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 40.4 m -120.49 125.04 46.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.156 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.5 m -98.82 135.01 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.471 ' NE2' HD11 ' A' ' 32' ' ' ILE . 10.8 pt20 -122.88 143.52 49.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.565 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 54.9 ttt-85 -104.57 125.33 50.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.833 0.349 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.501 ' CE3' ' HB3' ' A' ' 48' ' ' LEU . 31.7 m95 -123.67 128.88 50.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -128.24 151.7 48.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.943 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.573 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 33.8 p90 -119.49 140.75 49.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.458 HD13 ' NE2' ' A' ' 88' ' ' GLN . 2.1 mp -95.72 107.86 20.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.097 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' A' ' 36' ' ' ILE . 9.7 t70 -73.88 167.44 21.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -29.7 -70.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.872 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -123.34 18.41 9.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.519 ' O ' ' N ' ' A' ' 33' ' ' ASP . 3.9 mp -132.24 152.01 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.471 ' N ' HG22 ' A' ' 36' ' ' ILE . 9.2 m -120.9 97.94 5.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.138 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -113.61 174.59 5.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.4 p -117.82 163.53 16.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.573 ' CE1' ' HB3' ' A' ' 31' ' ' TYR . 76.7 m-85 -77.3 170.65 16.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.71 178.19 2.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.78 -27.35 61.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 33.1 mtm -93.74 -31.11 14.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.3 m -75.46 -36.12 60.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -43.53 -41.64 4.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.1 ptp -75.8 -36.68 59.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 55.9 mttt -51.0 -20.82 1.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.557 HD12 ' CZ ' ' A' ' 40' ' ' PHE . 64.5 mt -95.89 -53.95 3.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.433 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 0.7 OUTLIER -54.14 -38.75 65.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.6 m -60.78 -47.36 93.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.454 ' CB ' HD13 ' A' ' 72' ' ' LEU . . . -65.1 -35.66 81.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.431 ' CE3' ' C ' ' A' ' 52' ' ' TRP . 10.8 t90 -69.77 -38.08 76.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -79.84 -31.46 40.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.11 12.68 2.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.128 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 79.1 mttt 54.49 38.17 29.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -82.46 158.15 23.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.6 tptt -84.6 -37.14 21.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -163.82 152.48 13.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 13.5 t -131.9 127.02 35.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.1 t -82.08 137.0 21.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.123 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 29.1 m -142.11 153.92 18.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.165 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -83.49 107.0 15.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.482 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 86.6 mt -119.59 119.83 61.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.422 ' CD2' HG22 ' A' ' 63' ' ' ILE . 11.3 m170 64.26 36.97 8.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 67.34 25.16 8.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 1.8 pt20 -146.16 127.43 14.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -61.67 133.4 55.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.595 ' CE2' ' HB3' ' A' ' 79' ' ' ALA . 4.1 m-85 -129.31 150.1 50.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 40.0 m -98.07 105.59 17.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.181 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 57.4 t -93.38 111.28 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.163 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 75' ' ' ASN . 2.8 t0 -90.16 118.21 29.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.454 HD13 ' CB ' ' A' ' 51' ' ' ALA . 6.1 mt -72.7 -43.11 63.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 m -40.31 -43.41 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.449 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 9.3 t -111.46 -19.57 12.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.147 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.449 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.2 m120 71.6 54.98 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.477 ' CG2' ' O ' ' A' ' 85' ' ' PHE . 96.8 m -145.68 137.18 25.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.427 ' N ' HG22 ' A' ' 76' ' ' THR . . . -92.95 148.27 22.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.078 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.467 HG22 ' N ' ' A' ' 79' ' ' ALA . 23.8 m -151.25 145.64 25.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.153 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.595 ' HB3' ' CE2' ' A' ' 68' ' ' PHE . . . -137.47 155.45 75.44 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.581 0.705 . . . . 0.0 111.086 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 1.93 4.02 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.67 2.247 . . . . 0.0 112.34 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -87.75 -39.15 15.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 126.14 34.39 0.63 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -133.64 132.17 40.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.363 . . . . 0.0 110.896 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 49.8 p -132.53 144.38 50.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.499 ' CE2' ' CE2' ' A' ' 68' ' ' PHE . 1.6 m-85 -135.89 175.08 9.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.3 m -120.07 123.27 42.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.161 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.1 m -97.35 137.72 24.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.074 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.458 ' NE2' HD13 ' A' ' 32' ' ' ILE . 10.6 pt20 -127.03 140.9 51.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.431 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 64.6 ttt-85 -99.97 130.91 46.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.943 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.843 0.354 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.531 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 59.5 m95 -130.57 115.15 16.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -125.48 152.07 45.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.541 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 25.9 p90 -117.9 143.7 46.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.476 HD11 ' NE2' ' A' ' 88' ' ' GLN . 2.2 mp -98.81 106.64 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' A' ' 36' ' ' ILE . 20.5 t70 -74.53 167.47 21.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.833 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.519 ' C ' ' O ' ' A' ' 33' ' ' ASP . 13.8 mmtp -27.93 -73.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -121.9 18.8 10.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.522 ' O ' ' N ' ' A' ' 33' ' ' ASP . 3.2 mp -132.41 147.22 32.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.445 ' N ' HG21 ' A' ' 36' ' ' ILE . 18.0 m -117.32 99.9 7.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.122 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -113.51 179.65 3.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.7 p -126.35 162.52 25.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.541 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 96.9 m-85 -82.55 159.74 22.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 43' ' ' MET . 0.5 OUTLIER -75.43 141.78 43.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.01 -25.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.502 ' N ' ' O ' ' A' ' 41' ' ' ASP . 70.0 mtm -74.06 -48.44 29.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.891 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 47' ' ' LYS . 98.3 m -77.17 -41.43 41.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.175 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 44' ' ' THR . 3.4 t-20 -34.36 -44.34 0.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.421 ' CG ' ' N ' ' A' ' 47' ' ' LYS . 8.0 ptp -74.21 -43.72 56.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 44' ' ' THR . 73.5 mttt -50.29 -24.45 2.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.0 mt -91.2 -53.44 4.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -54.32 -35.67 62.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.455 HG21 ' N ' ' A' ' 51' ' ' ALA . 35.0 m -62.62 -43.4 98.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.455 ' N ' HG21 ' A' ' 50' ' ' VAL . . . -67.71 -29.26 68.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.45 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 10.5 t90 -73.96 -36.72 64.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.954 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -83.47 -27.04 29.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.94 17.37 1.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.121 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt 48.91 38.63 12.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -84.23 159.52 20.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -86.61 -34.76 19.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -166.96 152.6 7.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.7 t -130.63 134.03 46.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.6 t -86.7 135.73 24.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.083 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 32.9 m -141.8 151.29 18.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.077 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -79.65 109.72 14.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.505 ' CG2' ' CD2' ' A' ' 64' ' ' HIS . 68.5 mt -122.42 119.91 59.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.505 ' CD2' ' CG2' ' A' ' 63' ' ' ILE . 11.5 m170 66.08 35.32 6.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.833 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.8 t30 66.76 28.03 9.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.473 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.5 pt20 -147.17 132.91 18.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -61.97 130.91 47.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.614 ' CE1' ' CB ' ' A' ' 79' ' ' ALA . 3.6 m-85 -129.46 156.0 44.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 56.8 m -108.11 110.08 21.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.093 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.3 t -95.65 115.45 34.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 75' ' ' ASN . 4.1 t0 -92.6 117.88 30.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.9 mt -71.4 -43.4 66.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.8 m -43.93 -53.42 6.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.436 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 11.6 t -98.65 -21.94 16.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.121 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 71' ' ' ASP . 1.2 m120 71.15 53.57 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 96.7 m -143.24 134.47 25.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.88 144.15 25.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.073 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.1 m -146.32 148.32 32.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.614 ' CB ' ' CE1' ' A' ' 68' ' ' PHE . . . -139.89 153.35 69.62 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.595 0.712 . . . . 0.0 111.123 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 3.13 2.96 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.249 . . . . 0.0 112.362 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -87.71 -36.79 17.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 124.69 32.71 0.8 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.505 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -133.6 139.61 46.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.887 0.375 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 37.1 p -141.08 141.06 34.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.516 ' CE2' ' CE2' ' A' ' 68' ' ' PHE . 0.7 OUTLIER -132.76 175.12 9.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 40.7 m -118.83 124.45 47.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.129 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.0 m -97.19 136.73 26.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.169 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.476 ' NE2' HD11 ' A' ' 32' ' ' ILE . 11.0 pt20 -127.64 136.93 52.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.531 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 52.7 ttt-85 -97.98 131.29 44.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.834 0.35 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.554 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 49.1 m95 -120.81 119.83 33.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -123.37 149.25 45.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.565 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 19.5 p90 -118.5 145.27 45.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.459 HD13 ' NE2' ' A' ' 88' ' ' GLN . 2.2 mp -99.19 107.96 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.523 ' N ' ' O ' ' A' ' 36' ' ' ILE . 17.1 t70 -73.88 167.78 20.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.513 ' C ' ' O ' ' A' ' 33' ' ' ASP . 31.2 mtpt -29.07 -72.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -121.97 18.13 10.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.0 mp -132.26 153.96 39.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.5 m -121.08 97.95 5.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 31' ' ' TYR . 19.2 mt-30 -111.04 178.04 4.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 32.0 p -129.04 159.48 35.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 98.2 m-85 -80.07 161.5 25.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -68.89 177.36 2.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -68.82 -34.78 76.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.1 ptp -74.87 -42.85 57.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.426 HG23 ' CD1' ' A' ' 40' ' ' PHE . 98.2 m -74.07 -35.39 64.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.083 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.447 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 19.1 t-20 -43.86 -46.04 7.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.1 ptp -75.15 -36.67 61.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -50.63 -23.23 2.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.423 ' CD2' HG21 ' A' ' 59' ' ' THR . 88.9 mt -95.44 -51.82 4.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 50' ' ' VAL . 1.6 pp20? -53.6 -36.67 62.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.428 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 26.7 m -58.85 -49.05 84.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.149 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.469 ' CB ' ' HB ' ' A' ' 59' ' ' THR . . . -62.7 -32.84 74.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.077 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 12.2 t90 -69.59 -37.51 76.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -79.22 -30.5 43.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.92 17.54 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.8 mttt 47.53 37.61 6.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -78.53 162.81 26.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -87.04 -36.87 17.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.6 p30 -164.41 152.13 12.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.469 ' HB ' ' CB ' ' A' ' 51' ' ' ALA . 9.8 t -128.23 128.26 44.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.7 t -84.33 133.88 28.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.4 m -140.13 152.35 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -81.73 105.57 12.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.56 HG21 ' CD2' ' A' ' 64' ' ' HIS . 84.3 mt -118.11 118.03 56.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.56 ' CD2' HG21 ' A' ' 63' ' ' ILE . 9.9 m170 67.08 40.02 3.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 63.82 25.86 14.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.485 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 1.1 pt20 -147.28 129.77 15.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.89 132.64 53.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.587 ' CZ ' ' HB3' ' A' ' 79' ' ' ALA . 3.5 m-85 -128.91 152.64 48.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.2 m -101.47 106.87 18.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 65.1 t -94.5 112.82 27.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 75' ' ' ASN . 8.0 t0 -89.31 120.84 31.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.423 HD11 ' C ' ' A' ' 51' ' ' ALA . 11.4 mt -73.47 -39.23 65.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.922 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.6 t -45.19 -54.07 7.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.839 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.429 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 8.9 t -100.67 -19.56 16.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.429 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.4 m120 71.31 53.73 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.886 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 85' ' ' PHE . 98.6 m -142.36 137.09 30.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.091 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.438 ' N ' HG21 ' A' ' 76' ' ' THR . . . -92.86 148.43 22.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.439 HG22 ' N ' ' A' ' 79' ' ' ALA . 19.9 m -150.21 145.41 26.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.587 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . . . -136.23 153.36 76.51 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.6 0.714 . . . . 0.0 111.089 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 3.85 2.54 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.678 2.252 . . . . 0.0 112.342 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -89.49 -37.84 14.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.444 ' C ' ' OE1' ' A' ' 83' ' ' GLN . . . 125.87 34.89 0.62 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.488 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.444 ' OE1' ' C ' ' A' ' 82' ' ' GLY . 5.4 mp0 -135.06 133.53 39.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.881 0.372 . . . . 0.0 110.927 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 42.2 p -133.66 144.18 49.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.55 ' CE2' ' CE2' ' A' ' 68' ' ' PHE . 1.1 m-85 -136.26 175.1 9.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.7 m -119.24 124.3 46.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.417 HG23 ' C ' ' A' ' 75' ' ' ASN . 2.9 m -97.23 138.39 22.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.459 ' NE2' HD13 ' A' ' 32' ' ' ILE . 7.9 pt20 -128.15 146.1 50.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.973 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.554 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 48.7 ttt-85 -107.07 131.97 53.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.459 HD12 ' N ' ' A' ' 90' ' ' LEU . 1.2 mp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.851 0.357 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.524 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 51.8 m95 -115.15 119.53 36.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.953 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.412 ' HG2' ' CB ' ' A' ' 39' ' ' CYS . 46.2 mt-30 -125.32 151.72 45.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.497 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 24.7 p90 -119.12 138.8 52.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.458 HD13 ' NE2' ' A' ' 88' ' ' GLN . 2.0 mp -92.35 108.59 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.131 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' A' ' 36' ' ' ILE . 23.8 t0 -73.9 167.53 21.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.499 ' C ' ' O ' ' A' ' 33' ' ' ASP . 17.5 mmmt -30.13 -70.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -122.77 17.54 10.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.6 mp -132.31 154.06 39.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.5 m -121.11 97.93 5.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.194 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -111.62 177.41 4.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.412 ' CB ' ' HG2' ' A' ' 30' ' ' GLN . 30.8 p -127.42 154.79 44.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.54 ' CD1' HG21 ' A' ' 44' ' ' THR . 97.6 m-85 -72.04 166.93 21.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -74.06 178.68 4.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.8 pttt -69.7 -32.45 71.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 47.9 mtp -77.76 -43.89 29.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.54 HG21 ' CD1' ' A' ' 40' ' ' PHE . 95.1 m -73.33 -37.33 66.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -42.39 -44.98 4.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.1 ptp -76.69 -35.65 57.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -53.1 -20.11 3.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 86.3 mt -96.02 -56.89 2.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.453 ' CG ' ' N ' ' A' ' 50' ' ' VAL . 4.2 pt-20 -49.59 -45.34 47.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.453 ' N ' ' CG ' ' A' ' 49' ' ' GLU . 22.8 m -53.58 -39.42 37.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.47 ' CB ' HD12 ' A' ' 72' ' ' LEU . . . -70.63 -33.65 71.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.081 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.46 ' CE3' ' C ' ' A' ' 52' ' ' TRP . 10.5 t90 -73.39 -35.97 65.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.431 ' HB3' ' NZ ' ' A' ' 53' ' ' LYS . 0.1 OUTLIER -76.81 -38.28 54.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.83 4.2 5.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt 61.64 36.43 16.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -76.75 162.36 27.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -88.01 -34.39 18.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -168.52 144.95 3.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.426 ' HB ' ' CB ' ' A' ' 51' ' ' ALA . 12.0 t -123.17 130.52 52.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.9 t -83.93 138.36 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.122 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.7 m -144.16 148.12 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.164 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -79.32 106.68 11.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.46 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 66.7 mt -118.86 131.53 71.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.6 m170 56.13 29.78 15.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 73.53 25.15 2.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.46 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.3 pt20 -145.3 132.88 20.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.98 130.74 47.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.582 ' CE1' ' CB ' ' A' ' 79' ' ' ALA . 4.2 m-85 -129.04 151.11 50.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 34.2 m -100.82 107.13 18.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.174 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.5 t -91.79 106.28 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 75' ' ' ASN . 6.7 t0 -83.75 115.97 22.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.47 HD12 ' CB ' ' A' ' 51' ' ' ALA . 6.8 mt -73.18 -42.45 62.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.8 m -45.71 -46.82 15.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.401 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 11.0 t -105.59 -18.01 14.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.186 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.9 OUTLIER 68.18 52.94 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 77.3 m -142.61 133.27 25.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.95 147.89 22.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.083 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.7 m -150.91 148.56 28.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.582 ' CB ' ' CE1' ' A' ' 68' ' ' PHE . . . -139.1 153.25 71.28 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.586 0.708 . . . . 0.0 111.078 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 2.45 3.52 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.728 2.285 . . . . 0.0 112.33 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 57.3 mm-40 -86.73 -36.38 18.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.942 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.428 ' C ' ' OE1' ' A' ' 83' ' ' GLN . . . 124.32 37.1 0.58 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.428 ' OE1' ' C ' ' A' ' 82' ' ' GLY . 1.1 mp0 -138.84 141.06 38.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.843 0.354 . . . . 0.0 110.931 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.2 p -141.14 144.27 34.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.168 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.514 ' CE2' ' CE2' ' A' ' 68' ' ' PHE . 1.0 OUTLIER -135.98 175.01 9.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 46.6 m -119.49 123.97 45.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.2 m -97.33 139.12 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.458 ' NE2' HD13 ' A' ' 32' ' ' ILE . 17.8 pt20 -126.4 142.66 51.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.959 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.524 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 68.0 ttt-85 -110.23 122.33 47.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.801 0.334 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.543 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 45.7 m95 -107.53 121.32 44.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -126.51 149.17 49.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 20.6 p90 -115.77 141.7 47.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.458 HD13 ' NE2' ' A' ' 88' ' ' GLN . 2.2 mp -95.23 107.59 19.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' A' ' 36' ' ' ILE . 23.9 t70 -73.55 167.85 20.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.51 ' C ' ' O ' ' A' ' 33' ' ' ASP . 43.4 mttp -29.02 -72.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -122.46 18.07 10.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.5 mp -132.21 154.17 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.7 m -122.65 98.79 6.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -111.64 176.19 5.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.6 p -121.62 160.31 24.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 31' ' ' TYR . 87.1 m-85 -80.55 166.54 21.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -76.03 179.84 5.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.4 ptpp? -70.94 -34.39 71.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 9.3 mmt -73.54 -45.0 56.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.6 m -75.49 -36.7 60.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -44.0 -40.46 4.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.405 ' CG ' ' N ' ' A' ' 47' ' ' LYS . 6.5 ptp -81.44 -41.83 21.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.405 ' N ' ' CG ' ' A' ' 46' ' ' MET . 62.2 mttm -46.22 -21.88 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.3 mt -93.52 -68.83 0.78 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -40.5 -36.9 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.0 m -59.4 -44.04 91.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.155 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.417 ' C ' HD12 ' A' ' 72' ' ' LEU . . . -71.86 -36.22 70.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.074 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.445 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 12.0 t90 -67.45 -34.37 77.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -83.67 -32.89 25.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.98 12.28 2.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.8 mtmt 55.1 39.75 31.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -78.48 174.4 11.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -100.64 -35.77 9.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -170.61 149.37 3.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.7 t -126.65 138.31 53.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.5 t -89.94 136.95 22.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.8 m -144.02 141.2 24.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -76.61 104.58 7.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.484 HG21 ' CD2' ' A' ' 64' ' ' HIS . 91.1 mt -115.34 123.77 71.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.484 ' CD2' HG21 ' A' ' 63' ' ' ILE . 13.2 m170 64.49 37.05 8.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.0 m120 66.38 27.15 10.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.0 pt20 -147.19 129.42 15.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.86 133.12 55.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.58 ' CE1' ' CB ' ' A' ' 79' ' ' ALA . 3.6 m-85 -128.47 165.22 21.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 29.0 m -115.11 107.61 15.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.134 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 89.9 t -93.08 116.6 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 75' ' ' ASN . 2.2 t70 -94.7 117.65 30.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.417 HD12 ' C ' ' A' ' 51' ' ' ALA . 7.9 mt -71.45 -40.59 70.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 t -45.95 -54.63 7.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.402 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 9.9 t -97.63 -24.1 15.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.156 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 71' ' ' ASP . 1.7 m120 74.81 48.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 99.2 m -137.99 138.05 38.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -96.93 144.19 27.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.5 m -146.08 149.46 34.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.58 ' CB ' ' CE1' ' A' ' 68' ' ' PHE . . . -140.48 153.25 68.2 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.581 0.705 . . . . 0.0 111.125 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 3.26 2.88 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.727 2.285 . . . . 0.0 112.321 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -88.08 -36.67 16.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.44 ' C ' ' OE1' ' A' ' 83' ' ' GLN . . . 123.65 35.8 0.67 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.562 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.44 ' OE1' ' C ' ' A' ' 82' ' ' GLY . 2.9 mp0 -137.01 140.71 42.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.893 0.378 . . . . 0.0 110.909 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.5 p -139.86 146.0 38.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.532 ' CE2' ' CE2' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -136.76 174.83 10.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.9 m -118.85 124.12 46.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.429 HG22 ' CA ' ' A' ' 75' ' ' ASN . 2.1 m -97.72 137.9 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.134 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.458 ' NE2' HD13 ' A' ' 32' ' ' ILE . 10.0 pt20 -132.03 142.02 49.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.543 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 53.3 ttt-85 -99.69 132.31 45.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.833 0.349 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.511 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 43.8 m95 -121.62 118.84 30.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.459 ' HG2' ' CB ' ' A' ' 39' ' ' CYS . 45.0 mt-30 -123.33 155.21 37.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.543 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 13.8 p90 -123.93 144.2 49.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.47 HD12 ' NE2' ' A' ' 88' ' ' GLN . 2.2 mp -98.28 109.04 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.147 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.518 ' O ' ' C ' ' A' ' 34' ' ' LYS . 18.4 t70 -74.76 167.83 21.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.518 ' C ' ' O ' ' A' ' 33' ' ' ASP . 35.0 mttt -28.51 -72.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -123.15 18.84 9.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.0 mp -132.26 154.1 39.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.181 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.2 m -123.43 103.97 8.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.152 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -120.27 -179.75 4.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.459 ' CB ' ' HG2' ' A' ' 30' ' ' GLN . 31.7 p -127.93 159.3 35.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.543 ' CZ ' ' HB3' ' A' ' 31' ' ' TYR . 99.6 m-85 -79.37 166.34 22.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -75.31 -178.03 3.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.8 pptp? -73.24 -26.29 61.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.467 ' HG3' ' N ' ' A' ' 44' ' ' THR . 16.2 ptm -79.75 -38.87 32.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.467 ' N ' ' HG3' ' A' ' 43' ' ' MET . 96.8 m -82.63 -38.69 23.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -38.89 -41.51 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.8 ptp -77.55 -41.83 37.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -45.57 -22.71 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.2 mt -96.08 -56.81 2.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.438 ' C ' ' OE1' ' A' ' 49' ' ' GLU . 0.7 OUTLIER -50.06 -38.56 38.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.408 ' CG2' ' N ' ' A' ' 51' ' ' ALA . 34.2 m -62.33 -48.38 88.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.462 ' CB ' ' HB ' ' A' ' 59' ' ' THR . . . -64.44 -32.18 73.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.1 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.406 ' CE3' ' C ' ' A' ' 52' ' ' TRP . 14.1 t90 -74.6 -39.57 62.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.427 ' HB3' ' NZ ' ' A' ' 53' ' ' LYS . 0.2 OUTLIER -71.21 -36.98 72.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.87 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.09 10.1 3.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt 53.86 39.78 30.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -76.81 162.78 27.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.876 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -83.38 -38.17 22.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.0 p30 -166.84 152.44 7.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.462 ' HB ' ' CB ' ' A' ' 51' ' ' ALA . 14.0 t -132.12 131.58 42.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.4 t -86.45 134.09 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 32.8 m -138.53 151.98 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -81.37 106.39 13.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.577 HG21 ' CD2' ' A' ' 64' ' ' HIS . 81.6 mt -118.27 116.69 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.577 ' CD2' HG21 ' A' ' 63' ' ' ILE . 8.7 m170 66.41 40.52 3.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.5 t30 64.4 25.67 13.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.485 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.7 pt20 -146.97 127.19 13.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.73 133.3 55.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.584 ' CE2' ' HB1' ' A' ' 79' ' ' ALA . 3.8 m-85 -128.87 151.32 49.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 57.7 m -98.75 107.25 19.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.107 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.5 t -96.12 115.83 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 75' ' ' ASN . 3.5 t0 -93.44 121.86 35.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.7 mt -73.22 -41.97 63.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.8 t -42.53 -53.02 4.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.824 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.448 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 10.2 t -102.01 -19.84 15.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.138 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.448 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.2 m120 70.79 52.66 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 99.7 m -141.22 135.07 30.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.182 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.81 148.64 21.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.058 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.431 HG21 ' N ' ' A' ' 79' ' ' ALA . 21.1 m -151.38 145.37 25.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.584 ' HB1' ' CE2' ' A' ' 68' ' ' PHE . . . -135.4 153.71 78.06 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.56 0.695 . . . . 0.0 111.138 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 3.31 2.84 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.692 2.261 . . . . 0.0 112.385 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -88.17 -39.66 14.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 127.99 33.06 0.61 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.494 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.4 mp0 -134.38 136.02 43.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.911 0.386 . . . . 0.0 110.898 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 33.1 p -135.72 144.99 46.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.201 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.532 ' CE2' ' CE2' ' A' ' 68' ' ' PHE . 0.8 OUTLIER -136.3 175.59 9.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.2 m -121.52 123.55 42.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.172 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.9 m -96.98 134.73 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.148 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.47 ' NE2' HD12 ' A' ' 32' ' ' ILE . 10.0 pt20 -126.15 142.94 51.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.511 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 43.5 ttt-85 -99.07 124.18 43.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.466 ' CD1' ' HG3' ' A' ' 88' ' ' GLN . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.885 0.374 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.49 ' CE3' ' HB3' ' A' ' 48' ' ' LEU . 44.5 m95 -133.15 121.32 22.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.945 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.428 ' HG2' ' CB ' ' A' ' 39' ' ' CYS . 40.7 mt-30 -124.59 154.0 41.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.571 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 14.7 p90 -122.71 147.08 46.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.473 HD13 ' NE2' ' A' ' 88' ' ' GLN . 2.2 mp -100.07 108.42 22.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' A' ' 36' ' ' ILE . 13.9 t70 -73.89 167.8 20.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.509 ' C ' ' O ' ' A' ' 33' ' ' ASP . 33.8 mtpt -29.09 -70.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -123.94 18.7 9.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.522 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.0 mp -132.31 154.23 39.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.2 m -121.89 99.75 6.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.118 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -112.35 175.63 5.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.428 ' CB ' ' HG2' ' A' ' 30' ' ' GLN . 30.1 p -122.36 162.56 21.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.571 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 76.1 m-85 -85.69 161.83 19.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -71.58 174.22 6.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.401 ' O ' ' OD1' ' A' ' 45' ' ' ASN . 35.5 pttt -70.68 -24.87 62.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 30.6 mtp -82.74 -28.86 30.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 47' ' ' LYS . 62.2 m -88.46 -44.64 10.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.181 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 42' ' ' LYS . 0.2 OUTLIER -38.06 -41.31 0.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.6 ptp -73.35 -37.97 65.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 44' ' ' THR . 49.4 mtmt -55.96 -27.28 51.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.49 ' HB3' ' CE3' ' A' ' 29' ' ' TRP . 92.8 mt -87.46 -49.03 7.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.465 ' CG ' ' N ' ' A' ' 50' ' ' VAL . 4.7 pt-20 -58.56 -45.67 88.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.465 ' N ' ' CG ' ' A' ' 49' ' ' GLU . 29.3 m -51.93 -44.47 38.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.34 -34.17 74.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.598 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 9.4 t90 -74.83 -29.6 61.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.965 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.444 ' HE3' ' CE3' ' A' ' 52' ' ' TRP . 5.6 mmpt? -82.61 -34.34 27.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.837 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.0 12.99 2.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.114 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp 53.0 39.41 29.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -77.84 170.49 16.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -93.15 -36.28 12.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.2 p30 -167.18 153.42 8.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.9 t -131.65 136.18 47.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.7 t -90.07 135.03 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.143 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 30.0 m -139.83 154.88 24.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.3 mp0 -84.95 103.86 14.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.95 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.553 ' CG2' ' CD2' ' A' ' 64' ' ' HIS . 75.3 mt -116.31 114.6 46.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.553 ' CD2' ' CG2' ' A' ' 63' ' ' ILE . 8.5 m170 68.27 41.01 1.97 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 62.79 27.07 15.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.478 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 1.5 pt20 -147.16 127.37 13.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -61.85 132.94 54.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.575 ' CE2' ' HB1' ' A' ' 79' ' ' ALA . 3.9 m-85 -129.29 150.86 50.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 58.9 m -99.62 106.95 18.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 66.9 t -93.35 115.78 32.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 75' ' ' ASN . 7.0 t0 -92.81 119.39 32.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.7 mt -72.9 -40.73 65.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 t -43.92 -55.33 4.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.422 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 8.9 t -98.92 -18.78 17.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.121 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.422 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.3 m120 70.35 54.8 0.3 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.428 ' CG2' ' O ' ' A' ' 85' ' ' PHE . 97.8 m -144.76 136.29 25.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.89 146.28 23.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.9 m -147.97 148.98 31.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.096 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.575 ' HB1' ' CE2' ' A' ' 68' ' ' PHE . . . -139.79 153.89 70.37 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.584 0.707 . . . . 0.0 111.072 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 3.31 2.84 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.665 2.244 . . . . 0.0 112.348 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -88.95 -38.2 14.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.954 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.7 34.88 0.62 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.52 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 11.6 mp0 -134.88 135.59 41.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.863 0.363 . . . . 0.0 110.903 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 43.4 p -137.4 144.84 42.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.465 ' CE2' ' CE2' ' A' ' 68' ' ' PHE . 0.8 OUTLIER -137.63 174.01 11.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 28.7 m -115.86 123.84 49.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.179 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.6 m -97.42 135.2 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.473 ' NE2' HD13 ' A' ' 32' ' ' ILE . 9.0 pt20 -130.39 133.6 46.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.426 ' C ' HD11 ' A' ' 90' ' ' LEU . 50.0 ttt-85 -96.03 126.0 40.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.524 ' N ' ' CD2' ' A' ' 90' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.807 0.337 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.491 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 43.1 m95 -128.38 119.35 24.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.428 ' HG2' ' CB ' ' A' ' 39' ' ' CYS . 48.3 mt-30 -124.63 148.02 48.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 29.6 p90 -116.64 142.54 46.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.47 HD12 ' NE2' ' A' ' 88' ' ' GLN . 2.1 mp -96.32 107.25 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.189 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' A' ' 36' ' ' ILE . 6.2 t70 -73.62 167.5 21.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.511 ' C ' ' O ' ' A' ' 33' ' ' ASP . 11.3 mmmt -29.18 -72.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -122.19 17.92 10.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' A' ' 33' ' ' ASP . 3.2 mp -132.27 151.94 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.475 ' N ' HG23 ' A' ' 36' ' ' ILE . 17.3 m -120.13 97.81 5.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -114.76 179.1 4.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.428 ' CB ' ' HG2' ' A' ' 30' ' ' GLN . 27.3 p -124.7 161.06 27.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 31' ' ' TYR . 98.2 m-85 -75.79 179.13 5.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.77 169.5 14.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -66.17 -15.95 63.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 62.4 mtm -92.26 -38.81 11.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 47' ' ' LYS . 99.2 m -78.45 -43.01 28.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -37.95 -39.63 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.1 ptp -79.66 -37.7 35.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 44' ' ' THR . 45.3 mttm -54.51 -20.28 7.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 69.3 mt -93.76 -59.61 1.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.438 ' HA ' ' CZ2' ' A' ' 29' ' ' TRP . 6.6 pt-20 -47.76 -42.8 26.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.411 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 20.6 m -58.38 -37.62 64.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.407 ' C ' HD13 ' A' ' 72' ' ' LEU . . . -76.48 -30.99 57.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.095 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.539 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 10.0 t90 -75.38 -32.5 60.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -87.04 -30.72 20.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.69 7.93 4.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt 59.81 41.26 18.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.4 mmtm -85.81 165.42 16.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.19 -37.94 14.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.0 p30 -167.8 154.24 7.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.6 t -131.21 132.87 44.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.473 HG12 ' N ' ' A' ' 61' ' ' VAL . 53.9 t -88.79 133.92 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.104 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.473 ' N ' HG12 ' A' ' 60' ' ' VAL . 33.5 m -137.21 154.49 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -82.13 104.99 12.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.485 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 85.5 mt -117.99 119.72 62.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.106 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.3 m170 64.36 38.6 7.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 64.37 27.2 13.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.485 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.3 pt20 -147.18 129.08 15.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.953 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.81 132.92 54.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.59 ' CZ ' ' CB ' ' A' ' 79' ' ' ALA . 4.1 m-85 -130.03 151.19 50.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 32.6 m -99.85 108.65 20.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 81.8 t -95.5 112.31 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 75' ' ' ASN . 2.9 t70 -90.26 119.38 30.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.407 HD13 ' C ' ' A' ' 51' ' ' ALA . 6.3 mt -72.43 -41.03 66.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.9 t -42.33 -51.2 4.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.447 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 8.9 t -103.77 -20.27 14.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.164 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.447 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.4 m120 72.47 52.92 0.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.425 ' CG2' ' O ' ' A' ' 85' ' ' PHE . 95.8 m -142.42 135.69 28.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.406 ' N ' HG22 ' A' ' 76' ' ' THR . . . -93.76 146.71 23.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.115 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 45.4 m -145.02 157.3 44.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.59 ' CB ' ' CZ ' ' A' ' 68' ' ' PHE . . . -147.51 152.49 42.02 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.583 0.706 . . . . 0.0 111.056 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 3.33 2.84 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.685 2.256 . . . . 0.0 112.323 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -89.48 -39.2 13.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 127.01 34.39 0.59 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.521 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 12.2 mp0 -133.98 134.84 42.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.908 0.385 . . . . 0.0 110.904 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 44.7 p -135.99 139.05 42.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.462 ' CE2' ' CE2' ' A' ' 68' ' ' PHE . 1.0 OUTLIER -130.36 174.17 10.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.6 m -119.25 124.21 46.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.151 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.7 m -97.69 137.39 25.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.09 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.47 ' NE2' HD12 ' A' ' 32' ' ' ILE . 10.8 pt20 -126.61 144.03 51.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.491 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 55.3 ttt-85 -104.02 129.21 51.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.938 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.821 0.343 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.545 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 45.3 m95 -130.89 118.28 20.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -122.59 152.45 40.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.549 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 25.6 p90 -119.89 138.66 53.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.961 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.47 HD11 ' NE2' ' A' ' 88' ' ' GLN . 2.2 mp -93.45 106.54 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' A' ' 36' ' ' ILE . 28.5 t70 -73.67 167.62 21.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.517 ' C ' ' O ' ' A' ' 33' ' ' ASP . 21.7 mtpt -28.41 -73.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -122.42 18.76 10.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.519 ' O ' ' N ' ' A' ' 33' ' ' ASP . 3.0 mp -132.26 148.3 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.453 ' N ' HG21 ' A' ' 36' ' ' ILE . 13.1 m -118.06 98.08 6.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.111 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -110.94 177.09 4.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.5 p -124.3 159.54 30.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.549 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 64.7 m-85 -81.84 162.0 22.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -69.91 177.51 3.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -71.75 -28.49 63.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.403 ' HG3' ' N ' ' A' ' 44' ' ' THR . 19.2 ptp -79.24 -44.29 22.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.403 ' N ' ' HG3' ' A' ' 43' ' ' MET . 91.2 m -73.4 -37.4 65.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -41.58 -46.77 3.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.1 ptp -74.49 -38.03 62.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -50.06 -22.99 1.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.7 mt -96.05 -49.77 5.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -55.03 -36.5 65.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.919 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.443 HG23 ' N ' ' A' ' 51' ' ' ALA . 35.9 m -60.38 -43.42 93.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.114 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.443 ' N ' HG23 ' A' ' 50' ' ' VAL . . . -68.07 -32.99 73.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.595 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 8.4 t90 -73.64 -30.44 62.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -85.17 -31.24 23.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.91 10.55 3.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt 57.77 37.06 27.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -81.39 167.62 19.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -95.25 -34.66 12.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -164.55 150.01 10.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.405 ' HB ' ' CB ' ' A' ' 51' ' ' ALA . 4.9 t -127.31 140.66 52.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.16 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.0 t -93.96 134.1 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 29.8 m -140.52 151.54 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.165 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -81.29 107.36 14.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.469 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 85.2 mt -119.48 124.65 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 15.9 m170 62.45 31.09 17.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.6 m120 70.99 27.68 3.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.469 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.4 pt20 -146.89 133.79 20.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.1 130.49 45.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.601 ' CE1' ' CB ' ' A' ' 79' ' ' ALA . 3.8 m-85 -129.35 152.58 48.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.6 m -105.3 109.56 21.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.3 t -95.29 111.4 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 75' ' ' ASN . 11.6 t70 -88.36 116.32 26.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.5 mt -70.33 -41.59 73.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.8 m -43.55 -51.86 6.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.44 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 9.7 t -102.74 -16.22 16.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.167 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.7 OUTLIER 67.47 54.1 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.431 HG23 ' N ' ' A' ' 77' ' ' ALA . 89.9 m -143.24 135.11 26.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.431 ' N ' HG23 ' A' ' 76' ' ' THR . . . -92.94 147.59 22.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.6 m -149.05 147.31 28.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.601 ' CB ' ' CE1' ' A' ' 68' ' ' PHE . . . -138.52 153.21 72.36 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.565 0.697 . . . . 0.0 111.107 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 2.75 3.24 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.37 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 -87.4 -35.8 18.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.446 ' C ' ' OE1' ' A' ' 83' ' ' GLN . . . 123.65 35.74 0.67 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.479 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.446 ' OE1' ' C ' ' A' ' 82' ' ' GLY . 7.6 mp0 -136.33 141.87 43.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 0.0 110.904 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 25.3 p -141.4 144.51 34.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.529 ' CE2' ' CE2' ' A' ' 68' ' ' PHE . 1.0 OUTLIER -136.69 175.18 9.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.9 m -119.49 124.48 46.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.148 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.41 HG23 ' CA ' ' A' ' 75' ' ' ASN . 2.5 m -97.09 137.79 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.47 ' NE2' HD11 ' A' ' 32' ' ' ILE . 12.7 pt20 -128.88 139.53 52.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.545 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 51.6 ttt-85 -99.32 129.7 45.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.827 0.346 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.431 ' CZ2' ' HA ' ' A' ' 49' ' ' GLU . 50.1 m95 -129.62 112.48 13.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.932 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.427 ' HG2' ' CB ' ' A' ' 39' ' ' CYS . 49.4 mt-30 -120.83 151.96 38.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.571 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 22.8 p90 -117.66 140.48 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.464 HD12 ' NE2' ' A' ' 88' ' ' GLN . 2.3 mp -95.74 106.17 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.101 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.529 ' N ' ' O ' ' A' ' 36' ' ' ILE . 28.5 t0 -73.8 167.84 20.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.516 ' C ' ' O ' ' A' ' 33' ' ' ASP . 19.7 mtpp -27.91 -74.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -121.27 18.04 11.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 33' ' ' ASP . 3.5 mp -132.25 147.16 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.47 ' N ' HG21 ' A' ' 36' ' ' ILE . 15.7 m -116.62 100.97 8.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -114.94 173.44 6.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.427 ' CB ' ' HG2' ' A' ' 30' ' ' GLN . 30.8 p -121.6 158.03 29.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.571 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 83.3 m-85 -77.82 178.21 7.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.441 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 10.6 t70 -82.11 179.51 7.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.852 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.0 pttt -71.2 -34.2 70.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.427 ' HA ' ' CE ' ' A' ' 46' ' ' MET . 9.5 mmt -78.29 -42.02 32.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.408 HG22 ' CD1' ' A' ' 40' ' ' PHE . 92.0 m -76.55 -39.8 51.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 41' ' ' ASP . 0.9 OUTLIER -45.45 -41.08 9.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.427 ' CE ' ' HA ' ' A' ' 43' ' ' MET . 5.5 ptp -79.03 -42.13 27.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.407 ' N ' ' CG ' ' A' ' 46' ' ' MET . 30.9 mttm -45.28 -24.6 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.4 mt -87.69 -50.7 6.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 50' ' ' VAL . 4.9 pt-20 -55.14 -45.82 75.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.452 ' N ' ' CG ' ' A' ' 49' ' ' GLU . 13.2 m -53.67 -33.4 22.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.68 -31.31 41.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.603 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 9.8 t90 -72.79 -28.85 62.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -90.07 -29.89 18.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.56 12.53 2.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.039 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt 54.86 40.9 32.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -79.63 170.09 17.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.5 tptp -101.41 -32.44 10.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.839 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -174.3 140.93 0.69 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.7 t -120.39 140.11 51.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.7 t -92.5 137.32 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 30.0 m -143.46 153.11 16.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -82.2 108.38 15.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.642 ' CG2' ' CD2' ' A' ' 64' ' ' HIS . 67.3 mt -120.59 110.53 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.642 ' CD2' ' CG2' ' A' ' 63' ' ' ILE . 6.8 m170 72.0 40.4 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 62.93 28.74 16.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 3.3 pt20 -147.19 132.54 18.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -63.93 130.56 44.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.614 ' CE1' ' CB ' ' A' ' 79' ' ' ALA . 3.8 m-85 -129.32 153.69 47.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.3 m -106.34 109.96 22.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 84.1 t -94.09 109.51 22.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -86.58 119.38 26.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.3 mt -73.22 -40.91 64.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.9 t -43.39 -54.85 4.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.447 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 12.9 t -99.66 -19.39 16.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.187 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.447 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.2 m120 71.5 50.74 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.439 ' CG2' ' O ' ' A' ' 85' ' ' PHE . 97.8 m -140.26 135.8 32.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.82 146.19 23.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.3 m -147.41 147.63 30.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.614 ' CB ' ' CE1' ' A' ' 68' ' ' PHE . . . -138.67 153.36 72.22 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.636 0.732 . . . . 0.0 111.074 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 3.26 2.88 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.648 2.232 . . . . 0.0 112.375 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.1 mm-40 -87.84 -37.23 16.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.02 36.1 0.6 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.525 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -136.92 139.44 41.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.914 0.388 . . . . 0.0 110.929 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 30.5 p -140.27 141.0 35.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.504 ' CE2' ' CE2' ' A' ' 68' ' ' PHE . 0.7 OUTLIER -133.39 174.21 10.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 91.6 m -117.81 123.74 46.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.2 m -97.03 137.58 24.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.161 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.464 ' NE2' HD12 ' A' ' 32' ' ' ILE . 19.9 pt20 -125.99 139.31 53.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.429 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 68.0 ttt-85 -106.27 126.23 51.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.457 ' O ' ' CD1' ' A' ' 90' ' ' LEU . 9.7 tp10 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.842 0.353 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.438 ' NE1' ' HB3' ' A' ' 49' ' ' GLU . 33.2 m95 -97.84 124.44 42.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -125.01 155.9 38.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 12.7 p90 -122.58 140.63 52.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.475 HD12 ' NE2' ' A' ' 88' ' ' GLN . 1.9 mp -92.98 108.85 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.146 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' A' ' 36' ' ' ILE . 20.8 t70 -73.8 167.62 21.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 33' ' ' ASP . 4.9 mmmm -30.83 -70.67 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -122.49 16.84 10.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.54 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.9 mp -132.28 154.1 39.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.6 m -120.82 98.89 6.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.187 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -109.61 177.38 4.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.5 m -121.38 162.72 19.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.589 ' CD2' ' CD1' ' A' ' 48' ' ' LEU . 46.5 m-85 -80.4 174.19 11.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -83.25 179.28 7.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.5 pttt -69.85 -34.99 74.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.45 ' HG3' ' N ' ' A' ' 44' ' ' THR . 20.4 ptp -79.09 -40.21 31.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.45 ' N ' ' HG3' ' A' ' 43' ' ' MET . 24.6 m -74.11 -35.08 64.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.18 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -46.52 -45.39 18.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.6 ptp -77.02 -39.07 51.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.0 mttm -49.29 -26.06 2.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.589 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 19.4 mt -91.53 -57.99 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.955 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.438 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 0.3 OUTLIER -49.44 -37.69 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.421 ' CG2' ' N ' ' A' ' 51' ' ' ALA . 33.1 m -62.82 -51.11 76.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.421 ' N ' ' CG2' ' A' ' 50' ' ' VAL . . . -60.89 -32.27 71.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.054 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.547 ' CE3' ' NH1' ' A' ' 89' ' ' ARG . 11.2 t90 -71.47 -36.39 71.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -80.79 -33.19 35.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.8 4.21 6.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.074 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.6 mttt 62.54 41.4 9.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -80.61 173.84 12.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.6 tppt? -104.27 -29.89 10.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -172.34 138.16 0.92 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.1 t -116.02 133.16 56.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.404 ' C ' HG12 ' A' ' 61' ' ' VAL . 15.5 t -87.88 135.0 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.186 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.404 HG12 ' C ' ' A' ' 60' ' ' VAL . 30.1 m -143.17 149.56 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -79.67 102.3 8.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.484 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 89.0 mt -115.07 126.51 72.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.407 ' CD2' HG21 ' A' ' 63' ' ' ILE . 11.9 m170 62.4 34.33 15.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 66.79 27.82 9.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.484 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 0.6 OUTLIER -147.11 134.59 20.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -62.17 130.36 45.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.642 ' CE2' ' CE2' ' A' ' 85' ' ' PHE . 3.5 m-85 -129.18 164.93 22.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.8 m -115.85 109.51 17.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 56.1 t -90.83 105.0 15.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.133 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 75' ' ' ASN . 1.9 t70 -81.89 119.59 24.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.411 ' O ' ' OD1' ' A' ' 75' ' ' ASN . 15.0 mt -80.05 -39.4 29.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 m -44.28 -32.9 1.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.8 t -127.11 -13.46 5.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 71' ' ' ASP . 2.9 m-20 69.47 54.87 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.428 HG21 ' N ' ' A' ' 77' ' ' ALA . 98.7 m -141.91 135.57 29.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.158 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.428 ' N ' HG21 ' A' ' 76' ' ' THR . . . -95.03 149.35 21.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.095 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.5 m -151.07 148.33 28.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.613 ' CB ' ' CE1' ' A' ' 68' ' ' PHE . . . -139.37 152.93 70.31 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 0.0 111.083 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 2.05 3.87 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.679 2.252 . . . . 0.0 112.363 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 64.9 mm-40 -86.22 -35.7 19.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.943 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 123.47 33.03 0.84 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -133.82 136.26 44.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.918 0.389 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 32.1 p -134.66 142.49 46.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.642 ' CE2' ' CE2' ' A' ' 68' ' ' PHE . 0.8 OUTLIER -135.06 175.4 9.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.828 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 92.1 m -124.33 125.83 44.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.161 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.7 m -99.53 140.9 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.475 ' NE2' HD12 ' A' ' 32' ' ' ILE . 6.2 pt20 -132.63 135.41 45.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.547 ' NH1' ' CE3' ' A' ' 52' ' ' TRP . 34.9 ttt180 -89.09 130.98 35.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.457 ' CD1' ' O ' ' A' ' 28' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.835 0.35 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.532 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 37.8 m95 -118.24 126.64 52.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -127.73 155.58 43.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.563 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 34.6 p90 -122.04 138.15 54.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.989 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.479 HD11 ' NE2' ' A' ' 88' ' ' GLN . 2.1 mp -90.89 106.79 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 36' ' ' ILE . 19.7 t70 -73.48 167.83 20.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.515 ' C ' ' O ' ' A' ' 33' ' ' ASP . 4.4 mtpm? -28.66 -73.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.403 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 32.7 t30 -121.65 17.09 11.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.532 ' O ' ' N ' ' A' ' 33' ' ' ASP . 3.1 mp -132.18 148.29 32.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 26.1 m -116.61 99.64 7.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.165 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -111.69 172.77 6.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.5 p -117.51 167.37 11.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.563 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 55.2 m-85 -90.24 168.64 11.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -81.36 172.98 12.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.29 -19.22 63.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 17.8 mtm -85.7 -29.99 23.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 47' ' ' LYS . 17.9 m -89.12 -48.25 7.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.171 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.444 ' C ' ' ND2' ' A' ' 45' ' ' ASN . 0.1 OUTLIER -35.0 -36.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.45 ' CG ' ' N ' ' A' ' 47' ' ' LYS . 6.9 ptp -76.8 -45.36 29.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.833 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 44' ' ' THR . 42.4 mtmt -49.91 -23.05 1.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.4 mt -92.35 -65.24 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.401 ' CG ' ' N ' ' A' ' 50' ' ' VAL . 6.1 pt-20 -43.45 -42.01 4.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.401 ' N ' ' CG ' ' A' ' 49' ' ' GLU . 22.0 m -55.61 -39.35 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.421 ' C ' HD11 ' A' ' 72' ' ' LEU . . . -74.97 -31.84 61.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.067 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.551 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 9.8 t90 -74.34 -31.6 62.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.1 mmmt -89.38 -26.08 21.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.47 13.93 5.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm 53.76 39.02 29.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.7 mmtm -85.0 164.1 18.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.841 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -88.47 -35.34 17.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.6 p30 -170.49 154.1 4.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.9 t -128.43 133.99 48.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.7 t -85.79 135.27 25.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.176 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 18.4 m -141.62 147.84 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.2 mp0 -78.43 108.39 11.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.475 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 71.5 mt -121.38 124.65 72.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 18.1 m170 62.55 34.48 15.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.7 m120 67.16 28.03 8.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.475 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.4 pt20 -147.09 133.34 19.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -62.03 131.4 49.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.593 ' CE1' ' CB ' ' A' ' 79' ' ' ALA . 3.7 m-85 -129.48 156.97 43.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.4 m -109.22 108.49 19.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 80.8 t -92.31 112.2 25.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -90.19 123.99 34.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.421 HD11 ' C ' ' A' ' 51' ' ' ALA . 7.5 mt -80.56 -31.17 36.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.9 t -46.1 -42.21 13.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.9 t -121.1 -11.88 8.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.175 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.421 ' C ' HG23 ' A' ' 87' ' ' VAL . 2.5 m-20 70.77 54.97 0.26 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.47 ' CG2' ' O ' ' A' ' 85' ' ' PHE . 93.5 m -141.88 136.44 30.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.144 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.418 ' N ' HG23 ' A' ' 76' ' ' THR . . . -95.17 148.58 22.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.091 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.407 ' CG2' HG22 ' A' ' 84' ' ' THR . 11.3 m -148.43 148.8 30.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.593 ' CB ' ' CE1' ' A' ' 68' ' ' PHE . . . -139.31 152.87 70.31 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.541 0.686 . . . . 0.0 111.111 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 2.36 3.58 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.356 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -86.98 -36.1 18.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.413 ' C ' ' OE1' ' A' ' 83' ' ' GLN . . . 123.73 34.23 0.76 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.513 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.413 ' OE1' ' C ' ' A' ' 82' ' ' GLY . 11.4 mp0 -136.56 135.26 38.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.917 0.389 . . . . 0.0 110.872 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.407 HG22 ' CG2' ' A' ' 78' ' ' THR . 31.3 p -136.37 142.55 43.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.541 ' CE2' ' CE2' ' A' ' 68' ' ' PHE . 0.7 OUTLIER -133.38 175.44 9.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.3 m -120.9 125.35 47.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.421 HG23 ' C ' ' A' ' 75' ' ' ASN . 1.8 m -96.87 139.15 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.159 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.479 ' NE2' HD11 ' A' ' 32' ' ' ILE . 17.5 pm0 -125.49 138.55 53.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.532 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 54.1 ttt-85 -98.36 126.41 43.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 90' ' ' LEU . 1.9 mp . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.852 0.358 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.551 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 42.7 m95 -106.7 123.23 47.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -128.53 150.53 50.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 32.1 p90 -116.5 144.3 44.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.466 HD13 ' NE2' ' A' ' 88' ' ' GLN . 2.3 mp -99.64 105.53 17.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.148 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 36' ' ' ILE . 18.9 t70 -73.44 167.77 20.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.51 ' C ' ' O ' ' A' ' 33' ' ' ASP . 12.2 mmmt -28.72 -73.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -121.87 18.52 11.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.527 ' O ' ' N ' ' A' ' 33' ' ' ASP . 2.2 mp -132.14 146.22 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.138 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.8 m -117.48 97.75 6.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -110.94 179.15 4.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.3 p -122.3 164.91 17.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.567 ' CZ ' ' HB3' ' A' ' 31' ' ' TYR . 81.2 m-85 -84.82 162.38 19.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -67.81 179.16 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -73.25 -35.84 66.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.8 mtp -75.54 -38.81 59.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 90.0 m -75.77 -39.35 57.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.448 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 4.2 t-20 -39.35 -48.44 1.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.6 ptp -73.3 -39.69 65.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.5 mttm -48.32 -22.56 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.5 mt -92.74 -57.13 2.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -50.22 -41.09 49.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.8 m -58.2 -35.15 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.461 ' CB ' HD13 ' A' ' 72' ' ' LEU . . . -77.46 -30.76 53.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.051 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.533 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 10.2 t90 -76.5 -32.34 58.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt -85.68 -31.39 22.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.75 14.97 1.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.1 mtmm 51.47 38.47 22.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp -81.14 163.28 23.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.62 -35.46 18.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.5 p30 -172.43 153.44 2.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.2 t -128.68 136.8 51.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.135 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 61' ' ' VAL . 10.0 t -87.63 139.5 17.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.425 ' N ' HG12 ' A' ' 60' ' ' VAL . 33.1 m -144.6 153.97 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -84.42 103.95 14.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.474 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 78.6 mt -117.22 123.25 71.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.448 ' CD2' HG23 ' A' ' 63' ' ' ILE . 12.4 m170 63.5 37.43 10.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 64.6 27.67 13.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.474 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.7 pt20 -147.11 132.54 18.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.01 131.51 49.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.621 ' CE1' ' CB ' ' A' ' 79' ' ' ALA . 3.6 m-85 -129.34 156.26 44.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 48.1 m -107.08 109.02 20.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.079 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 69.4 t -92.77 113.7 28.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.086 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -92.68 120.29 32.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.81 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.461 HD13 ' CB ' ' A' ' 51' ' ' ALA . 6.9 mt -74.31 -41.41 61.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.4 t -44.14 -55.53 4.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.817 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.45 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 9.0 t -97.55 -20.88 17.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.156 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.45 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.3 m120 71.67 49.8 0.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.407 ' CG2' ' O ' ' A' ' 85' ' ' PHE . 97.6 m -140.12 136.17 33.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -93.02 145.44 24.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.0 m -146.58 149.7 34.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.621 ' CB ' ' CE1' ' A' ' 68' ' ' PHE . . . -141.41 153.31 65.71 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.604 0.716 . . . . 0.0 111.078 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 3.12 2.95 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.723 2.282 . . . . 0.0 112.329 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 -88.03 -36.21 17.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 123.7 33.54 0.8 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -134.02 139.75 46.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.92 0.391 . . . . 0.0 110.867 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.4 p -140.31 143.07 35.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.523 ' CE2' ' CE2' ' A' ' 68' ' ' PHE . 0.8 OUTLIER -135.06 175.16 9.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.2 m -118.55 124.25 47.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.095 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.0 m -97.08 136.16 28.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.466 ' NE2' HD13 ' A' ' 32' ' ' ILE . 13.8 pt20 -127.21 137.08 52.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.551 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 64.0 ttt-85 -100.22 128.79 46.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.836 0.351 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.484 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 41.3 m95 -111.91 127.06 55.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -127.25 149.52 49.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.519 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 22.3 p90 -118.76 140.28 50.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.467 HD12 ' NE2' ' A' ' 88' ' ' GLN . 2.2 mp -94.04 108.49 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.144 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.518 ' O ' ' C ' ' A' ' 34' ' ' LYS . 30.9 t70 -73.34 167.71 20.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.518 ' C ' ' O ' ' A' ' 33' ' ' ASP . 48.1 mtmt -28.32 -71.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -123.91 18.6 9.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.5 mp -132.21 154.51 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.2 m -121.3 103.94 9.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -118.93 173.77 6.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.5 p -124.9 155.64 39.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.519 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 97.8 m-85 -74.88 175.23 8.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.401 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 59.0 m-20 -81.17 178.13 8.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -29.78 67.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.0 mmt -78.38 -50.16 12.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.44 HG22 ' CD1' ' A' ' 40' ' ' PHE . 78.0 m -71.27 -38.36 71.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.401 ' CB ' ' O ' ' A' ' 41' ' ' ASP . 1.1 t30 -40.97 -43.05 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.5 ptp -77.61 -38.82 47.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -48.28 -21.14 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.4 mt -92.27 -48.87 6.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -56.18 -39.33 72.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.459 HG22 ' N ' ' A' ' 51' ' ' ALA . 30.4 m -56.62 -42.34 76.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.459 ' N ' HG22 ' A' ' 50' ' ' VAL . . . -68.25 -33.03 73.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.117 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.431 ' CE3' ' C ' ' A' ' 52' ' ' TRP . 11.2 t90 -75.26 -39.2 60.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.5 -38.4 71.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.914 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.29 13.67 2.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.8 mtpp 50.26 38.21 16.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.5 mmtm -73.63 168.27 19.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -90.08 -38.15 13.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -168.29 147.38 4.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.6 t -124.92 131.68 53.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.414 ' C ' HG12 ' A' ' 61' ' ' VAL . 32.5 t -86.21 140.05 16.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.159 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.414 HG12 ' C ' ' A' ' 60' ' ' VAL . 35.4 m -146.69 149.74 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -77.14 103.86 7.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.415 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 57.4 mt -117.33 124.79 73.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.418 ' O ' ' HB2' ' A' ' 65' ' ' ASN . 7.2 m170 62.87 35.77 13.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' A' ' 64' ' ' HIS . 2.2 m-80 66.1 26.78 10.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.415 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.3 pt20 -147.33 135.67 21.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -62.31 130.45 45.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.597 ' CE1' ' CB ' ' A' ' 79' ' ' ALA . 3.7 m-85 -129.41 156.35 44.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 49.6 m -107.61 110.42 22.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 86.6 t -93.54 111.69 25.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.089 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -91.47 122.05 33.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.401 ' O ' ' OD1' ' A' ' 75' ' ' ASN . 8.7 mt -77.77 -36.47 50.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.3 t -40.36 -44.69 2.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.9 t -118.57 -15.52 9.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.185 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.433 ' C ' HG22 ' A' ' 87' ' ' VAL . 5.3 m-20 73.62 54.03 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.447 HG21 ' N ' ' A' ' 77' ' ' ALA . 86.1 m -140.06 135.81 33.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.447 ' N ' HG21 ' A' ' 76' ' ' THR . . . -94.71 146.83 23.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.447 ' CG2' HG21 ' A' ' 84' ' ' THR . 7.4 m -147.88 148.34 30.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.186 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.597 ' CB ' ' CE1' ' A' ' 68' ' ' PHE . . . -138.35 153.2 72.67 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.544 0.688 . . . . 0.0 111.134 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 3.14 2.94 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.692 2.261 . . . . 0.0 112.336 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -87.71 -37.48 16.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.78 34.9 0.62 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.467 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.1 mp0 -136.4 137.74 40.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.899 0.38 . . . . 0.0 110.906 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.447 HG21 ' CG2' ' A' ' 78' ' ' THR . 32.7 p -138.84 139.79 38.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.535 ' CE2' ' CE2' ' A' ' 68' ' ' PHE . 0.7 OUTLIER -131.41 174.31 10.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.7 m -119.64 124.27 45.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.101 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.433 HG22 ' C ' ' A' ' 75' ' ' ASN . 0.8 OUTLIER -97.15 143.66 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 179.848 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.467 ' NE2' HD12 ' A' ' 32' ' ' ILE . 11.4 pt20 -132.82 141.27 48.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.484 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 47.7 ttt-85 -100.32 127.91 46.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.833 0.349 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.511 ' CE2' ' HG3' ' A' ' 89' ' ' ARG . 56.7 m95 -110.6 121.45 45.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -124.83 148.71 48.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 19.5 p90 -117.97 145.67 44.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.472 HD11 ' NE2' ' A' ' 88' ' ' GLN . 2.3 mp -99.68 105.95 18.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.139 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.53 ' O ' ' C ' ' A' ' 34' ' ' LYS . 15.5 t70 -73.77 167.66 20.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.53 ' C ' ' O ' ' A' ' 33' ' ' ASP . 21.3 mtpp -27.43 -74.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -122.27 19.01 10.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' A' ' 33' ' ' ASP . 3.2 mp -132.32 146.83 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.443 ' N ' HG21 ' A' ' 36' ' ' ILE . 23.6 m -116.76 97.75 6.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -112.75 179.61 3.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.4 p -123.34 155.75 36.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 31' ' ' TYR . 90.7 m-85 -71.44 174.7 6.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.854 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -81.69 178.88 8.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -69.42 -35.51 75.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 22.8 mtp -75.49 -47.38 27.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.486 HG23 ' CD1' ' A' ' 40' ' ' PHE . 97.8 m -69.46 -37.99 77.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -41.07 -46.16 2.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.0 ptp -78.02 -37.67 46.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -49.32 -28.41 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.7 mt -86.14 -53.41 5.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.448 ' CG ' ' N ' ' A' ' 50' ' ' VAL . 5.0 pt-20 -51.79 -45.07 63.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.459 HG23 ' N ' ' A' ' 51' ' ' ALA . 27.0 m -52.29 -46.65 45.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.459 ' N ' HG23 ' A' ' 50' ' ' VAL . . . -65.36 -30.13 70.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.055 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.423 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 10.3 t90 -73.0 -38.42 66.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -79.22 -30.91 43.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.97 16.37 1.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.071 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm 47.23 39.99 9.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.0 mmtm -81.77 160.73 23.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -84.86 -35.75 22.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.1 p30 -167.4 156.03 9.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.0 t -133.07 134.96 45.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.0 t -84.87 134.96 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.091 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 35.3 m -141.73 141.12 30.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -76.4 104.42 6.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.517 HG23 ' CD2' ' A' ' 64' ' ' HIS . 97.6 mt -114.69 119.54 61.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.517 ' CD2' HG23 ' A' ' 63' ' ' ILE . 11.3 m170 66.73 41.16 3.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 63.93 25.84 14.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.489 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 1.6 pt20 -147.12 126.85 13.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -61.66 134.56 56.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.582 ' CE2' ' HB1' ' A' ' 79' ' ' ALA . 3.5 m-85 -128.79 165.2 21.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 47.3 m -112.16 104.94 13.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.121 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.6 t -91.95 118.14 36.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 75' ' ' ASN . 3.1 t70 -97.22 122.27 40.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.2 mt -75.54 -41.22 55.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.6 t -42.58 -49.14 5.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.435 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 8.9 t -106.45 -20.43 13.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.118 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.435 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.5 m120 72.53 52.75 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.402 HG21 ' N ' ' A' ' 77' ' ' ALA . 98.5 m -142.54 137.08 29.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.402 ' N ' HG21 ' A' ' 76' ' ' THR . . . -95.13 146.47 24.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 97.6 m -146.59 156.62 43.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.183 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.582 ' HB1' ' CE2' ' A' ' 68' ' ' PHE . . . -147.72 154.05 43.72 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.525 0.679 . . . . 0.0 111.179 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 1.18 4.65 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.66 2.24 . . . . 0.0 112.373 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -86.52 -39.08 16.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.403 ' C ' ' OE1' ' A' ' 83' ' ' GLN . . . 125.91 34.94 0.61 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.403 ' OE1' ' C ' ' A' ' 82' ' ' GLY . 2.7 mp0 -133.92 136.54 44.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.895 0.379 . . . . 0.0 110.868 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 43.7 p -137.35 141.25 41.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.522 ' CE2' ' CE2' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -134.21 173.84 11.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.8 m -117.15 124.78 49.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.174 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.9 m -97.22 136.86 26.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.136 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.472 ' NE2' HD11 ' A' ' 32' ' ' ILE . 12.2 pt20 -131.33 139.16 49.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.511 ' HG3' ' CE2' ' A' ' 29' ' ' TRP . 36.3 ttt180 -101.86 131.04 48.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.459 HD11 ' N ' ' A' ' 90' ' ' LEU . 1.1 mp . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.463 ' O ' ' CD1' ' A' ' 90' ' ' LEU . 4.9 tp10 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.843 0.354 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.487 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 48.3 m95 -94.96 121.86 37.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -126.35 149.59 49.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.568 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 26.4 p90 -118.25 141.44 48.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.463 HD13 ' NE2' ' A' ' 88' ' ' GLN . 2.1 mp -96.49 109.43 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.129 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' A' ' 36' ' ' ILE . 18.2 t70 -76.18 167.53 21.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.809 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.503 ' C ' ' O ' ' A' ' 33' ' ' ASP . 33.2 mmtt -29.72 -73.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -120.25 17.77 12.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.514 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.7 mp -132.33 154.17 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.9 m -123.13 98.13 5.74 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -110.72 177.78 4.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.5 p -129.2 154.03 47.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 31' ' ' TYR . 96.1 m-85 -71.76 172.59 9.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.87 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.68 -179.45 7.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -71.03 -35.5 72.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 42.8 mmm -72.58 -45.72 57.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.846 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.476 HG23 ' CD2' ' A' ' 40' ' ' PHE . 71.5 m -74.69 -38.86 62.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.149 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -40.24 -40.2 1.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.2 ptp -81.54 -39.63 24.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 51.4 mttm -47.89 -28.83 2.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.432 HD21 ' CG2' ' A' ' 59' ' ' THR . 81.7 mt -83.75 -59.56 2.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.507 ' CG ' ' N ' ' A' ' 50' ' ' VAL . 4.8 pt-20 -48.5 -48.98 37.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.507 ' N ' ' CG ' ' A' ' 49' ' ' GLU . 34.7 m -46.84 -44.72 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.447 ' N ' HG22 ' A' ' 50' ' ' VAL . . . -68.85 -34.54 75.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.059 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.599 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 8.9 t90 -70.64 -29.23 65.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -87.09 -29.86 21.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.4 11.93 5.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm 56.3 38.44 29.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -75.62 175.37 8.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.94 -31.48 8.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -171.47 143.14 1.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.432 ' CG2' HD21 ' A' ' 48' ' ' LEU . 9.9 t -121.99 130.76 53.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.7 t -85.02 138.34 19.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.5 m -145.06 155.99 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.093 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -85.36 110.74 19.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.573 HG21 ' CD2' ' A' ' 64' ' ' HIS . 96.7 mt -123.02 123.86 68.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.573 ' CD2' HG21 ' A' ' 63' ' ' ILE . 13.5 m170 64.37 27.17 13.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 74.76 28.36 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.474 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.7 pt20 -147.12 134.77 21.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -62.2 129.04 38.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.592 ' CE1' ' CB ' ' A' ' 79' ' ' ALA . 3.9 m-85 -129.35 153.69 47.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 44.8 m -104.85 108.1 19.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.4 t -91.42 109.34 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -86.95 121.15 29.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.7 mt -74.99 -42.45 57.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.6 t -45.58 -54.2 7.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.4 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 8.2 t -96.79 -18.79 19.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.401 ' CA ' HG23 ' A' ' 87' ' ' VAL . 1.3 m120 68.3 46.72 1.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.452 ' CG2' ' O ' ' A' ' 85' ' ' PHE . 97.5 m -138.89 136.11 35.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.85 147.19 23.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.3 m -148.68 146.98 28.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.592 ' CB ' ' CE1' ' A' ' 68' ' ' PHE . . . -137.95 153.1 73.32 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.546 0.689 . . . . 0.0 111.122 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 2.8 3.19 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.247 . . . . 0.0 112.343 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 57.3 mm-40 -87.39 -35.92 18.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 124.38 33.75 0.75 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -134.98 141.43 46.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.351 . . . . 0.0 110.93 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 30.2 p -142.3 141.73 32.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.173 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.499 ' CE2' ' CE2' ' A' ' 68' ' ' PHE . 1.0 OUTLIER -132.41 175.11 9.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.849 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.9 m -120.39 124.24 45.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.172 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.401 HG23 ' CA ' ' A' ' 75' ' ' ASN . 2.7 m -97.14 136.07 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.463 ' NE2' HD13 ' A' ' 32' ' ' ILE . 9.0 pt20 -126.12 135.74 52.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.487 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 44.4 ttt-85 -95.9 128.95 43.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.463 ' CD1' ' O ' ' A' ' 28' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.449 ' O ' ' CD1' ' A' ' 90' ' ' LEU . 10.8 tt0 . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.801 0.334 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.521 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 47.6 m95 -97.67 121.99 40.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -124.86 153.16 43.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.95 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.544 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 20.5 p90 -121.67 139.63 53.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.903 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.456 HD13 ' NE2' ' A' ' 88' ' ' GLN . 2.1 mp -94.06 108.03 20.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.124 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 36' ' ' ILE . 17.9 t70 -73.85 167.43 21.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.824 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.513 ' C ' ' O ' ' A' ' 33' ' ' ASP . 4.4 mmmm -28.95 -70.18 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -124.91 19.05 8.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.524 ' O ' ' N ' ' A' ' 33' ' ' ASP . 3.5 mp -132.47 150.82 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.5 m -120.41 102.95 8.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -115.53 179.07 4.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.958 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.2 m -117.99 161.29 20.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.567 ' CD2' ' CD1' ' A' ' 48' ' ' LEU . 38.3 m-85 -79.78 158.3 26.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 43' ' ' MET . 1.0 OUTLIER -75.43 138.83 41.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 41' ' ' ASP . 18.2 ptpt -36.59 -29.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.506 ' N ' ' O ' ' A' ' 41' ' ' ASP . 87.5 mmm -74.12 -48.53 28.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 41' ' ' ASP . 88.6 m -72.54 -38.5 67.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 44' ' ' THR . 2.6 t-20 -36.8 -39.19 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.6 ptp -85.46 -39.17 17.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 44' ' ' THR . 14.6 mtpt -54.51 -20.59 8.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.567 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 74.8 mt -95.65 -50.18 5.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.453 ' C ' ' OE1' ' A' ' 49' ' ' GLU . 0.8 OUTLIER -59.79 -34.63 73.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.465 HG22 ' N ' ' A' ' 51' ' ' ALA . 30.0 m -56.95 -42.03 78.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.465 ' N ' HG22 ' A' ' 50' ' ' VAL . . . -74.48 -30.57 61.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.543 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 10.1 t90 -71.09 -32.09 68.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -85.29 -30.49 23.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -83.13 15.72 2.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.088 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.4 mtpt 51.69 37.65 20.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.2 mmmt -76.8 166.82 22.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.25 -33.34 12.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -165.18 148.84 8.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.419 ' HB ' ' CB ' ' A' ' 51' ' ' ALA . 13.0 t -131.35 130.45 42.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 31.1 t -85.81 140.61 15.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.3 m -144.14 155.12 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 -83.69 106.78 15.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.503 HG23 ' CD2' ' A' ' 64' ' ' HIS . 85.7 mt -120.13 121.03 64.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.503 ' CD2' HG23 ' A' ' 63' ' ' ILE . 11.1 m170 64.04 36.59 9.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 66.59 25.87 9.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.469 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 1.2 pt20 -146.17 128.7 16.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.0 p-10 -61.81 132.28 52.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 79' ' ' ALA . 4.1 m-85 -129.22 152.13 49.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.7 m -100.66 107.83 19.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 69.1 t -94.59 114.58 31.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.117 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 75' ' ' ASN . 1.6 t70 -92.02 123.43 35.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.7 mt -74.92 -43.25 55.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 t -41.54 -52.33 3.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.459 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 11.0 t -102.42 -18.97 15.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.108 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.459 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.1 m120 69.82 51.81 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.472 ' CG2' ' O ' ' A' ' 85' ' ' PHE . 99.2 m -141.08 137.2 32.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.161 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.447 ' N ' HG23 ' A' ' 76' ' ' THR . . . -93.24 149.76 20.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.4 m -151.61 148.83 28.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.203 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.564 ' HB3' ' CE2' ' A' ' 68' ' ' PHE . . . -139.01 153.5 71.72 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.558 0.695 . . . . 0.0 111.11 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 3.51 2.74 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.659 2.24 . . . . 0.0 112.339 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -89.53 -36.76 15.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.34 35.29 0.62 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -133.4 139.23 46.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.361 . . . . 0.0 110.904 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 43.4 p -139.04 144.52 38.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.138 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.525 ' CE2' ' CE2' ' A' ' 68' ' ' PHE . 1.4 m-85 -138.77 175.08 9.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 33.0 m -119.71 124.37 46.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.178 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.9 m -97.56 133.32 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.186 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.456 ' NE2' HD13 ' A' ' 32' ' ' ILE . 9.5 pt20 -126.89 140.74 52.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.521 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 35.7 ttt-85 -97.32 132.91 42.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.449 ' CD1' ' O ' ' A' ' 28' ' ' GLU . 1.3 mp . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.857 0.36 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.491 ' CE2' ' HG3' ' A' ' 89' ' ' ARG . 41.0 m95 -115.13 119.77 37.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.458 ' HG2' ' CB ' ' A' ' 39' ' ' CYS . 42.7 mt-30 -123.78 154.38 39.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.564 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 22.7 p90 -119.58 140.32 50.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.46 HD13 ' NE2' ' A' ' 88' ' ' GLN . 2.4 mp -95.4 107.74 20.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.16 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' A' ' 36' ' ' ILE . 6.8 t70 -73.74 167.62 21.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.505 ' C ' ' O ' ' A' ' 33' ' ' ASP . 7.9 mtmp? -28.63 -72.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -122.29 18.42 10.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.519 ' O ' ' N ' ' A' ' 33' ' ' ASP . 3.3 mp -132.17 150.61 33.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.185 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.2 m -120.83 106.03 11.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -121.05 171.21 8.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.458 ' CB ' ' HG2' ' A' ' 30' ' ' GLN . 29.0 p -113.23 160.2 18.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 45.1 m-85 -78.38 173.79 11.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -71.58 164.2 26.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.3 ptpt -61.96 -25.7 67.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 91.1 mmm -89.5 -43.37 10.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.557 HG23 ' CD1' ' A' ' 40' ' ' PHE . 91.9 m -66.76 -40.69 88.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.426 ' CG ' ' N ' ' A' ' 46' ' ' MET . 1.1 p-10 -37.78 -47.81 1.04 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.426 ' N ' ' CG ' ' A' ' 45' ' ' ASN . 7.2 ptp -75.12 -37.46 61.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.1 mttt -50.58 -18.67 0.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.442 HD13 ' CE2' ' A' ' 40' ' ' PHE . 75.9 mt -96.07 -39.21 9.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -66.7 -40.09 88.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.938 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.6 m -56.69 -34.97 43.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.407 ' C ' HD13 ' A' ' 72' ' ' LEU . . . -76.71 -30.73 56.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.545 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 10.9 t90 -74.34 -30.31 61.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -88.16 -29.44 20.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.3 17.09 1.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt 51.21 39.05 22.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.9 mmtp -83.53 164.24 19.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.949 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.56 -34.52 12.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -165.2 151.86 10.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.6 t -130.11 131.42 45.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.151 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.2 t -84.43 137.33 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 30.4 m -144.24 149.33 17.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -79.28 104.54 9.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.488 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 67.4 mt -117.21 121.98 68.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.406 ' O ' ' HB2' ' A' ' 65' ' ' ASN . 13.7 m170 63.15 38.96 10.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 64' ' ' HIS . 3.7 m-20 64.35 26.75 13.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.488 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.5 pt20 -147.08 131.35 17.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.954 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -61.73 131.23 49.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.596 ' CE1' ' CB ' ' A' ' 79' ' ' ALA . 3.7 m-85 -129.29 152.21 49.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 56.0 m -102.83 108.77 20.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 74.4 t -92.7 110.76 23.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 75' ' ' ASN . 7.1 t0 -89.39 116.92 27.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.407 HD13 ' C ' ' A' ' 51' ' ' ALA . 10.3 mt -72.4 -43.45 63.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 m -42.58 -52.48 4.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.816 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.4 t -100.75 -16.24 17.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.127 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 71' ' ' ASP . 1.4 m120 67.06 52.6 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.472 ' CG2' ' O ' ' A' ' 85' ' ' PHE . 97.7 m -143.87 135.55 26.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.79 150.28 20.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.3 m -152.04 147.41 26.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.141 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.596 ' CB ' ' CE1' ' A' ' 68' ' ' PHE . . . -137.72 153.5 74.05 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.537 0.684 . . . . 0.0 111.089 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 2.26 3.7 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.66 2.24 . . . . 0.0 112.316 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -86.2 -37.69 18.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.81 36.36 0.55 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.489 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -138.01 140.27 40.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.7 p -139.57 144.1 37.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.188 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.543 ' CE2' ' CE2' ' A' ' 68' ' ' PHE . 1.1 m-85 -136.25 175.03 9.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.6 m -118.1 125.46 50.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.184 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.417 HG22 ' CA ' ' A' ' 75' ' ' ASN . 3.7 m -97.32 139.22 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.46 ' NE2' HD13 ' A' ' 32' ' ' ILE . 17.4 pt20 -130.7 135.61 47.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.491 ' HG3' ' CE2' ' A' ' 29' ' ' TRP . 44.5 ttt180 -98.0 127.13 43.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.833 0.349 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.53 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 53.0 m95 -120.98 115.17 22.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -121.77 152.06 39.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.511 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 17.9 p90 -120.79 142.36 49.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.461 HD12 ' NE2' ' A' ' 88' ' ' GLN . 2.2 mp -95.37 108.41 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.523 ' N ' ' O ' ' A' ' 36' ' ' ILE . 25.8 t70 -74.34 167.78 20.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.522 ' C ' ' O ' ' A' ' 33' ' ' ASP . 28.1 mtmm -28.02 -71.61 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -123.97 19.14 9.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.6 mp -132.33 154.35 39.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.1 m -122.44 98.55 5.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.165 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 -112.39 177.36 4.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.7 p -126.64 157.79 38.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.511 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 89.9 m-85 -78.38 168.23 20.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -79.23 -179.42 6.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.861 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -70.96 -30.81 67.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -75.23 -45.0 43.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.506 HG23 ' CD1' ' A' ' 40' ' ' PHE . 85.2 m -76.47 -37.62 56.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.428 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 2.3 t-20 -42.01 -45.92 4.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.4 ptp -73.01 -38.81 66.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -50.73 -29.59 11.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.473 HD13 ' CE2' ' A' ' 40' ' ' PHE . 95.9 mt -84.95 -59.17 2.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.961 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.499 ' CG ' ' N ' ' A' ' 50' ' ' VAL . 6.7 pt-20 -48.75 -48.18 41.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.499 ' N ' ' CG ' ' A' ' 49' ' ' GLU . 27.3 m -49.25 -46.82 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.466 ' CB ' ' HB ' ' A' ' 59' ' ' THR . . . -65.34 -36.12 83.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.132 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.591 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 9.0 t90 -72.51 -30.55 64.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.445 ' HE3' ' CE3' ' A' ' 52' ' ' TRP . 6.1 mmpt? -82.41 -34.56 28.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.978 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.51 7.86 4.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.0 mttp 62.53 35.6 14.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -81.18 165.93 21.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -98.77 -31.85 11.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -162.42 144.9 11.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.824 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.466 ' HB ' ' CB ' ' A' ' 51' ' ' ALA . 9.1 t -128.36 132.0 48.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.148 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.9 t -81.18 138.15 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.079 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.8 m -145.94 153.58 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -84.72 105.59 15.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.486 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 56.3 mt -119.19 125.64 74.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.106 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 18.0 m170 62.32 30.55 17.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 70.89 27.91 3.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.486 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 0.4 OUTLIER -146.91 135.48 22.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.93 129.07 39.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.608 ' CE1' ' CB ' ' A' ' 79' ' ' ALA . 3.7 m-85 -129.15 154.99 46.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 37.4 m -107.16 106.91 17.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.1 t -90.59 104.7 15.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 75' ' ' ASN . 1.5 t70 -81.47 116.53 21.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.422 HD11 ' C ' ' A' ' 51' ' ' ALA . 6.6 mt -78.0 -37.13 47.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 t -44.76 -37.85 4.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.1 t -120.72 -17.04 8.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.14 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.451 ' CA ' HG21 ' A' ' 87' ' ' VAL . 2.6 m-20 74.51 54.93 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.405 HG21 ' N ' ' A' ' 77' ' ' ALA . 63.4 m -142.46 138.42 31.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.405 ' N ' HG21 ' A' ' 76' ' ' THR . . . -99.74 145.27 27.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.049 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.401 HG21 ' N ' ' A' ' 79' ' ' ALA . 47.8 m -147.18 145.54 29.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.608 ' CB ' ' CE1' ' A' ' 68' ' ' PHE . . . -136.0 153.1 76.69 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.561 0.696 . . . . 0.0 111.116 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 2.11 3.8 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -86.62 -37.47 18.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.21 32.27 0.8 Allowed Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.458 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -133.67 137.0 45.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.925 0.393 . . . . 0.0 110.857 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 44.8 p -136.79 144.72 43.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.556 ' CE2' ' CE2' ' A' ' 68' ' ' PHE . 0.7 OUTLIER -136.25 175.12 9.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 84.2 m -120.4 123.75 43.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.451 HG21 ' CA ' ' A' ' 75' ' ' ASN . 2.6 m -97.06 146.01 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.461 ' NE2' HD12 ' A' ' 32' ' ' ILE . 11.0 pt20 -133.75 144.1 48.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.53 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 54.3 ttt-85 -107.52 125.98 51.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -123.76 124.34 42.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.916 0.389 . . . . 0.0 110.852 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.5 p -69.47 -45.84 68.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.42 -169.85 15.09 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.7 p -62.94 173.29 1.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.888 0.375 . . . . 0.0 110.864 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -133.83 -60.65 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.07 81.86 0.24 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.402 ' C ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -94.81 3.46 54.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.834 0.35 . . . . 0.0 110.897 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.0 p -101.65 -63.53 1.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.1 mt -42.56 109.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.104 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.9 mmt-85 -48.29 166.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mt -142.05 147.7 37.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.2 48.78 1.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -132.47 -40.16 1.0 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -75.61 -31.93 60.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -71.24 -24.18 62.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -42.11 -31.11 0.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.7 m -42.26 -37.06 1.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.23 -58.8 5.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.18 -35.15 74.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -71.26 -42.66 68.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -61.37 -27.46 68.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.935 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.437 ' O ' ' C ' ' A' ' 24' ' ' SER . 20.4 mt -89.55 -61.68 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.068 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 25' ' ' THR . 15.1 m -35.69 -40.62 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.478 ' OG1' ' CD2' ' A' ' 26' ' ' TYR . 77.7 p -33.96 -48.06 0.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.478 ' CD2' ' OG1' ' A' ' 25' ' ' THR . 1.4 p90 -115.55 103.13 10.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.956 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.8 p -153.14 152.96 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.163 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -133.78 136.27 44.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.565 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 55.7 m95 -128.68 121.34 28.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -129.48 150.77 50.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 16.3 p90 -116.5 139.41 50.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.471 HD11 ' NE2' ' A' ' 88' ' ' GLN . 2.2 mp -95.55 106.23 18.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.521 ' N ' ' O ' ' A' ' 36' ' ' ILE . 43.9 t0 -73.57 167.58 21.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.506 ' C ' ' O ' ' A' ' 33' ' ' ASP . 19.5 mttm -28.95 -72.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -122.96 19.17 10.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.521 ' O ' ' N ' ' A' ' 33' ' ' ASP . 2.4 mp -132.32 149.03 31.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.7 m -119.54 97.91 5.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -113.84 174.78 5.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.7 p -123.57 160.89 26.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 31' ' ' TYR . 98.7 m-85 -80.68 162.06 24.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.18 166.95 5.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.03 -21.48 66.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 19.5 ptp -88.02 -38.83 15.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.4 m -76.95 -37.28 55.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.185 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.49 ' OD1' ' N ' ' A' ' 29' ' ' TRP . 27.2 t30 -41.6 -40.16 1.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.407 ' CG ' ' N ' ' A' ' 47' ' ' LYS . 5.4 ptp -78.18 -42.51 31.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.407 ' N ' ' CG ' ' A' ' 46' ' ' MET . 59.6 mttt -44.39 -27.06 0.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.5 mt -89.73 -53.4 4.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.444 ' HA ' ' CZ2' ' A' ' 29' ' ' TRP . 5.1 pt-20 -51.49 -43.53 62.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.421 ' N ' ' CG ' ' A' ' 49' ' ' GLU . 8.5 m -57.46 -33.58 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.418 ' C ' HD12 ' A' ' 72' ' ' LEU . . . -78.71 -31.35 46.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.593 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 10.5 t90 -75.55 -29.0 59.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -89.49 -32.47 17.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.93 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.14 4.6 5.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.115 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt 64.03 35.14 10.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -79.33 164.55 23.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -93.07 -35.92 12.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.862 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -165.73 148.21 7.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.0 t -128.79 136.98 51.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 68' ' ' PHE . 42.0 t -92.02 136.53 24.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 31.0 m -140.44 151.55 21.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.7 mp0 -80.63 105.76 12.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.47 HG21 ' CD2' ' A' ' 64' ' ' HIS . 84.2 mt -118.47 122.76 70.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.47 ' CD2' HG21 ' A' ' 63' ' ' ILE . 12.0 m170 63.53 33.86 13.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.83 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 68.88 26.29 5.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.459 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 1.4 pt20 -146.41 130.28 17.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -61.61 131.93 51.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.581 ' CE2' ' HB2' ' A' ' 79' ' ' ALA . 4.0 m-85 -129.35 153.45 47.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 39.9 m -102.7 108.54 19.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.108 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 84.2 t -96.66 114.06 32.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 75' ' ' ASN . 1.5 t70 -91.85 120.41 32.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.418 HD12 ' C ' ' A' ' 51' ' ' ALA . 6.5 mt -72.35 -42.63 65.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.8 t -42.21 -51.35 4.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.428 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 9.3 t -103.28 -18.27 14.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.121 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 71' ' ' ASP . 1.2 m120 68.79 55.03 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.499 ' CG2' ' O ' ' A' ' 85' ' ' PHE . 93.2 m -144.4 137.13 26.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.418 ' N ' HG22 ' A' ' 76' ' ' THR . . . -92.84 149.84 21.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.051 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.453 HG21 ' N ' ' A' ' 79' ' ' ALA . 22.0 m -152.52 145.29 24.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.581 ' HB2' ' CE2' ' A' ' 68' ' ' PHE . . . -136.06 154.61 77.62 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.623 0.725 . . . . 0.0 111.077 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 1.21 4.65 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.625 2.217 . . . . 0.0 112.366 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -86.93 -37.1 17.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 124.97 32.66 0.79 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.467 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -132.19 134.78 45.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.894 0.378 . . . . 0.0 110.906 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 51.4 p -134.62 147.13 50.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.575 ' CE2' ' CE2' ' A' ' 68' ' ' PHE . 1.5 m-85 -139.03 175.17 9.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 40.4 m -120.49 125.04 46.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.156 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.5 m -98.82 135.01 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.471 ' NE2' HD11 ' A' ' 32' ' ' ILE . 10.8 pt20 -122.88 143.52 49.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.565 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 54.9 ttt-85 -104.57 125.33 50.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -128.81 135.2 48.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.9 t -93.75 123.18 45.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -79.36 101.66 8.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -151.91 135.62 16.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.06 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.4 m -136.15 118.45 15.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 176.95 146.18 6.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 102.14 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.353 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.3 m -137.27 139.67 41.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.0 t -103.02 -46.94 4.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.508 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 3' ' ' SER . 1.5 t -146.86 144.88 29.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 110.866 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 2' ' ' SER . 17.4 t -36.56 -51.46 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.46 174.82 26.69 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.51 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.0 t -105.46 140.05 39.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 0.0 110.845 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.6 p -162.36 163.21 27.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.24 116.37 4.58 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -126.5 -60.93 1.23 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.829 0.347 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.2 p -56.8 146.99 24.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.7 mt -124.51 95.49 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.163 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -130.05 151.01 51.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.2 mt -38.94 118.29 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -163.32 167.39 21.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.6 tppt? -71.68 80.69 0.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -94.82 -52.6 4.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 18' ' ' SER . 78.3 mttt -40.52 -30.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 16' ' ' LYS . 12.9 tm-20 -37.64 -30.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 16' ' ' LYS . 60.2 p -44.33 -45.19 8.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -81.03 -39.06 26.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.54 -56.38 2.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.441 ' O ' ' CG2' ' A' ' 25' ' ' THR . 1.0 OUTLIER -71.74 -37.34 70.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.403 ' O ' ' CG2' ' A' ' 25' ' ' THR . 54.0 t80 -51.73 -38.55 55.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.8 mt -87.71 -61.41 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 26' ' ' TYR . 4.1 m -47.51 -46.82 27.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 24' ' ' SER . 5.8 t -34.69 -33.5 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.559 ' CG ' ' O ' ' A' ' 26' ' ' TYR . 25.3 p90 -131.99 103.01 6.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.454 HG11 ' CB ' ' A' ' 49' ' ' GLU . 14.9 p -154.14 158.12 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -136.64 134.32 37.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.501 ' CE3' ' HB3' ' A' ' 48' ' ' LEU . 31.7 m95 -123.67 128.88 50.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -128.24 151.7 48.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.943 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.573 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 33.8 p90 -119.49 140.75 49.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.458 HD13 ' NE2' ' A' ' 88' ' ' GLN . 2.1 mp -95.72 107.86 20.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.097 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' A' ' 36' ' ' ILE . 9.7 t70 -73.88 167.44 21.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -29.7 -70.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.872 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -123.34 18.41 9.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.519 ' O ' ' N ' ' A' ' 33' ' ' ASP . 3.9 mp -132.24 152.01 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.471 ' N ' HG22 ' A' ' 36' ' ' ILE . 9.2 m -120.9 97.94 5.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.138 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -113.61 174.59 5.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.4 p -117.82 163.53 16.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.573 ' CE1' ' HB3' ' A' ' 31' ' ' TYR . 76.7 m-85 -77.3 170.65 16.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.71 178.19 2.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.78 -27.35 61.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 33.1 mtm -93.74 -31.11 14.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.3 m -75.46 -36.12 60.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -43.53 -41.64 4.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.1 ptp -75.8 -36.68 59.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 55.9 mttt -51.0 -20.82 1.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.557 HD12 ' CZ ' ' A' ' 40' ' ' PHE . 64.5 mt -95.89 -53.95 3.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.454 ' CB ' HG11 ' A' ' 27' ' ' VAL . 0.7 OUTLIER -54.14 -38.75 65.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.6 m -60.78 -47.36 93.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.454 ' CB ' HD13 ' A' ' 72' ' ' LEU . . . -65.1 -35.66 81.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.431 ' CE3' ' C ' ' A' ' 52' ' ' TRP . 10.8 t90 -69.77 -38.08 76.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -79.84 -31.46 40.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.11 12.68 2.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.128 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 79.1 mttt 54.49 38.17 29.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -82.46 158.15 23.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.6 tptt -84.6 -37.14 21.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -163.82 152.48 13.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 13.5 t -131.9 127.02 35.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.1 t -82.08 137.0 21.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.123 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 29.1 m -142.11 153.92 18.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.165 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -83.49 107.0 15.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.482 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 86.6 mt -119.59 119.83 61.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.422 ' CD2' HG22 ' A' ' 63' ' ' ILE . 11.3 m170 64.26 36.97 8.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 67.34 25.16 8.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 1.8 pt20 -146.16 127.43 14.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -61.67 133.4 55.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.595 ' CE2' ' HB3' ' A' ' 79' ' ' ALA . 4.1 m-85 -129.31 150.1 50.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 40.0 m -98.07 105.59 17.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.181 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 57.4 t -93.38 111.28 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.163 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 75' ' ' ASN . 2.8 t0 -90.16 118.21 29.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.454 HD13 ' CB ' ' A' ' 51' ' ' ALA . 6.1 mt -72.7 -43.11 63.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 m -40.31 -43.41 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.449 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 9.3 t -111.46 -19.57 12.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.147 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.449 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.2 m120 71.6 54.98 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.477 ' CG2' ' O ' ' A' ' 85' ' ' PHE . 96.8 m -145.68 137.18 25.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.427 ' N ' HG22 ' A' ' 76' ' ' THR . . . -92.95 148.27 22.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.078 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.467 HG22 ' N ' ' A' ' 79' ' ' ALA . 23.8 m -151.25 145.64 25.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.153 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.595 ' HB3' ' CE2' ' A' ' 68' ' ' PHE . . . -137.47 155.45 75.44 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.581 0.705 . . . . 0.0 111.086 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 1.93 4.02 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.67 2.247 . . . . 0.0 112.34 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -87.75 -39.15 15.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 126.14 34.39 0.63 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -133.64 132.17 40.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.363 . . . . 0.0 110.896 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 49.8 p -132.53 144.38 50.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.499 ' CE2' ' CE2' ' A' ' 68' ' ' PHE . 1.6 m-85 -135.89 175.08 9.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.3 m -120.07 123.27 42.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.161 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.1 m -97.35 137.72 24.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.074 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.458 ' NE2' HD13 ' A' ' 32' ' ' ILE . 10.6 pt20 -127.03 140.9 51.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.431 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 64.6 ttt-85 -99.97 130.91 46.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 mp -132.52 138.07 47.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.448 HG12 ' CE2' ' A' ' 26' ' ' TYR . 46.4 t -98.55 123.23 50.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.097 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.423 ' HA ' ' NZ ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -81.36 82.73 7.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.18 141.64 58.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.1 t -114.25 110.9 20.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 103.03 130.72 7.07 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 153.85 68.57 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.711 2.274 . . . . 0.0 112.334 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.1 m -145.33 108.2 4.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 29.2 t -161.26 164.39 30.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 179.963 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.4 m -122.16 95.17 4.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.901 0.382 . . . . 0.0 110.841 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -103.87 149.88 24.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.88 134.03 13.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.4 p -122.16 -50.69 2.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 0.0 110.863 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 t -61.95 130.73 46.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.835 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.94 169.53 15.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.31 154.67 4.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.744 0.307 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.8 p -61.16 165.93 4.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.8 pp -73.23 158.56 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.12 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.6 mtp180 -94.64 -39.84 10.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.547 ' C ' ' CD2' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -154.35 157.44 38.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.964 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -111.08 162.18 15.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? 62.36 41.57 10.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -61.05 -48.18 82.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 18' ' ' SER . 27.2 mtmm -60.77 -32.16 71.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 16' ' ' LYS . 4.9 tp10 -37.6 -29.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 16' ' ' LYS . 2.0 m -47.07 -46.43 22.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -76.26 -41.12 50.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -47.99 -61.67 1.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.075 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -46.71 -42.61 16.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.49 ' O ' ' CG2' ' A' ' 25' ' ' THR . 4.2 t80 -57.64 -54.36 47.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 87.6 mt -39.81 -48.53 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.116 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 26' ' ' TYR . 13.1 m -39.99 -41.16 1.16 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' A' ' 22' ' ' TYR . 7.5 t -33.58 -35.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.592 ' O ' ' CD2' ' A' ' 26' ' ' TYR . 43.7 p90 -125.02 103.19 7.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.441 HG21 ' N ' ' A' ' 28' ' ' GLU . 14.9 p -154.24 157.87 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.144 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.441 ' N ' HG21 ' A' ' 27' ' ' VAL . 14.6 tt0 -127.65 133.25 49.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.531 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 59.5 m95 -130.57 115.15 16.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -125.48 152.07 45.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.541 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 25.9 p90 -117.9 143.7 46.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.476 HD11 ' NE2' ' A' ' 88' ' ' GLN . 2.2 mp -98.81 106.64 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' A' ' 36' ' ' ILE . 20.5 t70 -74.53 167.47 21.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.833 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.519 ' C ' ' O ' ' A' ' 33' ' ' ASP . 13.8 mmtp -27.93 -73.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -121.9 18.8 10.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.522 ' O ' ' N ' ' A' ' 33' ' ' ASP . 3.2 mp -132.41 147.22 32.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.445 ' N ' HG21 ' A' ' 36' ' ' ILE . 18.0 m -117.32 99.9 7.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.122 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -113.51 179.65 3.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.7 p -126.35 162.52 25.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.541 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 96.9 m-85 -82.55 159.74 22.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 43' ' ' MET . 0.5 OUTLIER -75.43 141.78 43.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.01 -25.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.502 ' N ' ' O ' ' A' ' 41' ' ' ASP . 70.0 mtm -74.06 -48.44 29.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.891 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 47' ' ' LYS . 98.3 m -77.17 -41.43 41.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.175 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 44' ' ' THR . 3.4 t-20 -34.36 -44.34 0.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.421 ' CG ' ' N ' ' A' ' 47' ' ' LYS . 8.0 ptp -74.21 -43.72 56.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 44' ' ' THR . 73.5 mttt -50.29 -24.45 2.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.0 mt -91.2 -53.44 4.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -54.32 -35.67 62.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.455 HG21 ' N ' ' A' ' 51' ' ' ALA . 35.0 m -62.62 -43.4 98.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.455 ' N ' HG21 ' A' ' 50' ' ' VAL . . . -67.71 -29.26 68.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.45 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 10.5 t90 -73.96 -36.72 64.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.954 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -83.47 -27.04 29.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.94 17.37 1.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.121 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt 48.91 38.63 12.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -84.23 159.52 20.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -86.61 -34.76 19.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -166.96 152.6 7.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.7 t -130.63 134.03 46.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.6 t -86.7 135.73 24.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.083 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 32.9 m -141.8 151.29 18.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.077 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -79.65 109.72 14.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.505 ' CG2' ' CD2' ' A' ' 64' ' ' HIS . 68.5 mt -122.42 119.91 59.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.505 ' CD2' ' CG2' ' A' ' 63' ' ' ILE . 11.5 m170 66.08 35.32 6.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.833 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.8 t30 66.76 28.03 9.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.473 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.5 pt20 -147.17 132.91 18.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -61.97 130.91 47.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.614 ' CE1' ' CB ' ' A' ' 79' ' ' ALA . 3.6 m-85 -129.46 156.0 44.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 56.8 m -108.11 110.08 21.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.093 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.3 t -95.65 115.45 34.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 75' ' ' ASN . 4.1 t0 -92.6 117.88 30.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.9 mt -71.4 -43.4 66.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.8 m -43.93 -53.42 6.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.436 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 11.6 t -98.65 -21.94 16.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.121 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 71' ' ' ASP . 1.2 m120 71.15 53.57 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 96.7 m -143.24 134.47 25.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.88 144.15 25.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.073 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.1 m -146.32 148.32 32.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.614 ' CB ' ' CE1' ' A' ' 68' ' ' PHE . . . -139.89 153.35 69.62 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.595 0.712 . . . . 0.0 111.123 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 3.13 2.96 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.249 . . . . 0.0 112.362 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -87.71 -36.79 17.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 124.69 32.71 0.8 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.505 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -133.6 139.61 46.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.887 0.375 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 37.1 p -141.08 141.06 34.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.516 ' CE2' ' CE2' ' A' ' 68' ' ' PHE . 0.7 OUTLIER -132.76 175.12 9.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 40.7 m -118.83 124.45 47.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.129 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.0 m -97.19 136.73 26.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.169 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.476 ' NE2' HD11 ' A' ' 32' ' ' ILE . 11.0 pt20 -127.64 136.93 52.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.531 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 52.7 ttt-85 -97.98 131.29 44.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.28 139.6 48.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.3 t -95.36 120.28 44.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -82.7 108.41 16.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -100.58 129.87 46.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.064 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.6 m -100.92 112.3 24.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.828 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -173.29 -95.22 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.445 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 127.23 14.28 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.645 2.23 . . . . 0.0 112.314 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 85.5 p -103.47 141.23 36.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.835 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 99' ' ' GLY . 1.7 t -55.14 124.15 15.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.843 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 98' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.504 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.0 p -76.05 -46.86 27.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.871 0.367 . . . . 0.0 110.855 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -91.71 148.82 21.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.862 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.5 -67.44 0.45 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.52 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 t -109.45 131.95 54.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.854 0.359 . . . . 0.0 110.908 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 7' ' ' GLY . 33.2 t -146.8 127.7 14.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 8' ' ' LYS . . . -34.82 115.9 0.19 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 7' ' ' GLY . 14.1 pttm -34.41 139.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.816 0.341 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.5 m -81.64 166.27 20.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.436 ' O ' ' CD1' ' A' ' 12' ' ' LEU . 80.5 mt -100.09 83.93 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.149 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 50.61 51.22 17.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.436 ' CD1' ' O ' ' A' ' 10' ' ' ILE . 3.7 mp -116.68 -177.05 3.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.8 -75.38 0.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -155.44 137.26 14.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.402 ' O ' ' OE2' ' A' ' 17' ' ' GLU . 6.3 pt-20 -46.18 -29.9 1.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.21 -21.35 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.915 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.465 ' HG2' ' N ' ' A' ' 18' ' ' SER . 1.5 pm0 -42.06 -29.18 0.21 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.465 ' N ' ' HG2' ' A' ' 17' ' ' GLU . 1.8 m -50.92 -42.74 59.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.836 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -95.43 -47.9 6.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.99 -53.59 19.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.049 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -50.92 -56.27 13.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.538 ' CE2' ' OH ' ' A' ' 26' ' ' TYR . 26.3 t80 -41.72 -40.16 1.91 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.0 mt -75.33 -46.14 38.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.113 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.465 ' O ' ' C ' ' A' ' 25' ' ' THR . 20.9 m -55.22 -42.71 73.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.818 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.465 ' C ' ' O ' ' A' ' 24' ' ' SER . 0.2 OUTLIER -32.95 -44.82 0.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 -179.908 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.538 ' OH ' ' CE2' ' A' ' 22' ' ' TYR . 3.1 p90 -117.53 103.07 9.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.46 HG22 ' N ' ' A' ' 28' ' ' GLU . 9.7 p -153.84 151.49 11.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.46 ' N ' HG22 ' A' ' 27' ' ' VAL . 25.5 tp10 -134.31 131.34 38.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.554 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 49.1 m95 -120.81 119.83 33.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -123.37 149.25 45.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.565 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 19.5 p90 -118.5 145.27 45.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.459 HD13 ' NE2' ' A' ' 88' ' ' GLN . 2.2 mp -99.19 107.96 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.523 ' N ' ' O ' ' A' ' 36' ' ' ILE . 17.1 t70 -73.88 167.78 20.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.513 ' C ' ' O ' ' A' ' 33' ' ' ASP . 31.2 mtpt -29.07 -72.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -121.97 18.13 10.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.0 mp -132.26 153.96 39.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.5 m -121.08 97.95 5.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 31' ' ' TYR . 19.2 mt-30 -111.04 178.04 4.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 32.0 p -129.04 159.48 35.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 98.2 m-85 -80.07 161.5 25.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -68.89 177.36 2.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -68.82 -34.78 76.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.1 ptp -74.87 -42.85 57.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.426 HG23 ' CD1' ' A' ' 40' ' ' PHE . 98.2 m -74.07 -35.39 64.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.083 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.447 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 19.1 t-20 -43.86 -46.04 7.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.1 ptp -75.15 -36.67 61.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -50.63 -23.23 2.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.423 ' CD2' HG21 ' A' ' 59' ' ' THR . 88.9 mt -95.44 -51.82 4.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 50' ' ' VAL . 1.6 pp20? -53.6 -36.67 62.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.428 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 26.7 m -58.85 -49.05 84.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.149 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.469 ' CB ' ' HB ' ' A' ' 59' ' ' THR . . . -62.7 -32.84 74.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.077 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 12.2 t90 -69.59 -37.51 76.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -79.22 -30.5 43.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.92 17.54 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.8 mttt 47.53 37.61 6.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -78.53 162.81 26.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -87.04 -36.87 17.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.6 p30 -164.41 152.13 12.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.469 ' HB ' ' CB ' ' A' ' 51' ' ' ALA . 9.8 t -128.23 128.26 44.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.7 t -84.33 133.88 28.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.4 m -140.13 152.35 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -81.73 105.57 12.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.56 HG21 ' CD2' ' A' ' 64' ' ' HIS . 84.3 mt -118.11 118.03 56.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.56 ' CD2' HG21 ' A' ' 63' ' ' ILE . 9.9 m170 67.08 40.02 3.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 63.82 25.86 14.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.485 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 1.1 pt20 -147.28 129.77 15.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.89 132.64 53.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.587 ' CZ ' ' HB3' ' A' ' 79' ' ' ALA . 3.5 m-85 -128.91 152.64 48.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.2 m -101.47 106.87 18.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 65.1 t -94.5 112.82 27.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 75' ' ' ASN . 8.0 t0 -89.31 120.84 31.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.423 HD11 ' C ' ' A' ' 51' ' ' ALA . 11.4 mt -73.47 -39.23 65.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.922 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.6 t -45.19 -54.07 7.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.839 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.429 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 8.9 t -100.67 -19.56 16.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.429 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.4 m120 71.31 53.73 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.886 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 85' ' ' PHE . 98.6 m -142.36 137.09 30.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.091 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.438 ' N ' HG21 ' A' ' 76' ' ' THR . . . -92.86 148.43 22.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.439 HG22 ' N ' ' A' ' 79' ' ' ALA . 19.9 m -150.21 145.41 26.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.587 ' HB3' ' CZ ' ' A' ' 68' ' ' PHE . . . -136.23 153.36 76.51 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.6 0.714 . . . . 0.0 111.089 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 3.85 2.54 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.678 2.252 . . . . 0.0 112.342 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -89.49 -37.84 14.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.444 ' C ' ' OE1' ' A' ' 83' ' ' GLN . . . 125.87 34.89 0.62 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.488 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.444 ' OE1' ' C ' ' A' ' 82' ' ' GLY . 5.4 mp0 -135.06 133.53 39.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.881 0.372 . . . . 0.0 110.927 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 42.2 p -133.66 144.18 49.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.55 ' CE2' ' CE2' ' A' ' 68' ' ' PHE . 1.1 m-85 -136.26 175.1 9.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.7 m -119.24 124.3 46.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.417 HG23 ' C ' ' A' ' 75' ' ' ASN . 2.9 m -97.23 138.39 22.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.459 ' NE2' HD13 ' A' ' 32' ' ' ILE . 7.9 pt20 -128.15 146.1 50.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.973 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.554 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 48.7 ttt-85 -107.07 131.97 53.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.459 HD12 ' N ' ' A' ' 90' ' ' LEU . 1.2 mp -134.87 133.3 39.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.4 p -97.47 122.39 48.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -73.43 89.04 1.62 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -109.89 167.95 9.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.062 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.7 t -65.87 98.63 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -65.76 146.07 49.02 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.456 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 87.98 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.659 2.239 . . . . 0.0 112.354 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.9 m -174.13 169.35 3.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.823 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 43.4 t -112.91 -55.14 2.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.83 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.495 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.0 p -104.89 149.19 25.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.368 . . . . 0.0 110.876 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.8 m -44.71 -61.8 1.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 42.17 -140.63 1.85 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.474 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.5 p -112.13 168.35 9.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.903 0.382 . . . . 0.0 110.836 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -92.34 118.27 30.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.897 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.05 -129.08 3.08 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.46 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -74.91 144.05 43.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.759 0.314 . . . . 0.0 110.935 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.5 m -109.31 103.08 11.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.834 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.0 tt -77.37 123.3 33.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.142 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.1 ptp85 -160.48 141.66 12.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mp -126.99 125.96 42.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.923 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.06 154.05 29.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.082 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.0 mmtt 56.6 42.85 26.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -71.53 -46.37 59.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -58.74 -28.0 65.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -39.85 -35.99 0.4 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.5 t -46.92 -44.46 19.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -89.92 -50.98 5.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.5 -52.62 2.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -65.4 -41.49 93.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.448 ' O ' ' CZ ' ' A' ' 26' ' ' TYR . 74.8 t80 -52.26 -26.96 13.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.613 ' O ' ' CD1' ' A' ' 26' ' ' TYR . 18.5 mt -94.89 -60.08 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 26' ' ' TYR . 1.7 m -50.51 -34.69 26.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.706 ' CG2' ' CD2' ' A' ' 26' ' ' TYR . 12.8 t -35.17 -31.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.706 ' CD2' ' CG2' ' A' ' 25' ' ' THR . 0.4 OUTLIER -121.24 103.33 8.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.52 HG21 ' CD1' ' A' ' 29' ' ' TRP . 13.8 p -154.13 146.85 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.067 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -128.04 121.13 28.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.524 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 51.8 m95 -115.15 119.53 36.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.953 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.412 ' HG2' ' CB ' ' A' ' 39' ' ' CYS . 46.2 mt-30 -125.32 151.72 45.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.497 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 24.7 p90 -119.12 138.8 52.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.458 HD13 ' NE2' ' A' ' 88' ' ' GLN . 2.0 mp -92.35 108.59 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.131 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' A' ' 36' ' ' ILE . 23.8 t0 -73.9 167.53 21.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.499 ' C ' ' O ' ' A' ' 33' ' ' ASP . 17.5 mmmt -30.13 -70.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -122.77 17.54 10.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.6 mp -132.31 154.06 39.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.5 m -121.11 97.93 5.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.194 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -111.62 177.41 4.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.412 ' CB ' ' HG2' ' A' ' 30' ' ' GLN . 30.8 p -127.42 154.79 44.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.54 ' CD1' HG21 ' A' ' 44' ' ' THR . 97.6 m-85 -72.04 166.93 21.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -74.06 178.68 4.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.8 pttt -69.7 -32.45 71.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 47.9 mtp -77.76 -43.89 29.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.54 HG21 ' CD1' ' A' ' 40' ' ' PHE . 95.1 m -73.33 -37.33 66.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -42.39 -44.98 4.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.1 ptp -76.69 -35.65 57.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -53.1 -20.11 3.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 86.3 mt -96.02 -56.89 2.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.47 ' CD ' ' CG1' ' A' ' 27' ' ' VAL . 4.2 pt-20 -49.59 -45.34 47.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.453 ' N ' ' CG ' ' A' ' 49' ' ' GLU . 22.8 m -53.58 -39.42 37.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.47 ' CB ' HD12 ' A' ' 72' ' ' LEU . . . -70.63 -33.65 71.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.081 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.46 ' CE3' ' C ' ' A' ' 52' ' ' TRP . 10.5 t90 -73.39 -35.97 65.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.431 ' HB3' ' NZ ' ' A' ' 53' ' ' LYS . 0.1 OUTLIER -76.81 -38.28 54.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.83 4.2 5.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt 61.64 36.43 16.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -76.75 162.36 27.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -88.01 -34.39 18.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -168.52 144.95 3.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.426 ' HB ' ' CB ' ' A' ' 51' ' ' ALA . 12.0 t -123.17 130.52 52.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.9 t -83.93 138.36 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.122 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.7 m -144.16 148.12 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.164 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -79.32 106.68 11.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.46 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 66.7 mt -118.86 131.53 71.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.6 m170 56.13 29.78 15.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 73.53 25.15 2.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.46 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.3 pt20 -145.3 132.88 20.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.98 130.74 47.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.582 ' CE1' ' CB ' ' A' ' 79' ' ' ALA . 4.2 m-85 -129.04 151.11 50.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 34.2 m -100.82 107.13 18.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.174 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.5 t -91.79 106.28 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 75' ' ' ASN . 6.7 t0 -83.75 115.97 22.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.47 HD12 ' CB ' ' A' ' 51' ' ' ALA . 6.8 mt -73.18 -42.45 62.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.8 m -45.71 -46.82 15.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.401 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 11.0 t -105.59 -18.01 14.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.186 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.9 OUTLIER 68.18 52.94 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 77.3 m -142.61 133.27 25.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.95 147.89 22.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.083 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.7 m -150.91 148.56 28.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.582 ' CB ' ' CE1' ' A' ' 68' ' ' PHE . . . -139.1 153.25 71.28 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.586 0.708 . . . . 0.0 111.078 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 2.45 3.52 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.728 2.285 . . . . 0.0 112.33 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 57.3 mm-40 -86.73 -36.38 18.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.942 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.428 ' C ' ' OE1' ' A' ' 83' ' ' GLN . . . 124.32 37.1 0.58 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.428 ' OE1' ' C ' ' A' ' 82' ' ' GLY . 1.1 mp0 -138.84 141.06 38.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.843 0.354 . . . . 0.0 110.931 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.2 p -141.14 144.27 34.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.168 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.514 ' CE2' ' CE2' ' A' ' 68' ' ' PHE . 1.0 OUTLIER -135.98 175.01 9.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 46.6 m -119.49 123.97 45.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.2 m -97.33 139.12 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.458 ' NE2' HD13 ' A' ' 32' ' ' ILE . 17.8 pt20 -126.4 142.66 51.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.959 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.524 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 68.0 ttt-85 -110.23 122.33 47.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -121.36 134.24 55.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 83.1 t -84.9 111.68 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.15 165.75 11.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -174.9 122.95 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.075 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 35.3 t -57.51 -49.57 75.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -78.44 152.34 37.53 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.509 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 103.76 1.21 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.639 2.226 . . . . 0.0 112.361 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.3 m -76.21 164.92 25.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.0 m -94.62 -44.07 8.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 179.965 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.1 m -130.55 89.65 2.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.909 0.385 . . . . 0.0 110.891 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 m -124.53 137.05 54.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.6 176.03 20.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.51 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.8 m -87.06 111.52 20.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.873 0.368 . . . . 0.0 110.82 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -112.01 130.32 55.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.915 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.24 -159.6 17.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.467 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -98.97 41.6 1.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.779 0.323 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.2 m -103.32 85.68 2.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.2 pt -100.14 40.13 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -98.08 137.27 37.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.2 mt -117.14 100.84 7.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -158.06 126.4 5.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.09 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? 50.02 41.46 23.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 17' ' ' GLU . 0.5 OUTLIER -83.38 -49.56 9.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -40.18 -26.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 15' ' ' GLU . 81.4 mt-10 -41.02 -40.4 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 19' ' ' GLN . 96.5 p -43.65 -42.98 5.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 20' ' ' ALA . 8.9 pt20 -37.73 -42.07 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.92 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 19' ' ' GLN . . . -35.58 -44.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 22' ' ' TYR . 3.7 m-20 -73.49 -55.45 6.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.427 ' C ' ' O ' ' A' ' 21' ' ' ASP . 10.8 t80 -34.93 -38.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.983 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.4 HD11 ' NZ ' ' A' ' 53' ' ' LYS . 21.4 mt -84.37 -57.83 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.159 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 25' ' ' THR . 17.7 m -42.47 -41.68 3.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 24' ' ' SER . 21.4 p -34.99 -40.37 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.156 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.405 ' CE2' ' O ' ' A' ' 22' ' ' TYR . 2.6 p90 -123.14 102.77 8.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.9 p -154.27 157.47 4.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.138 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -143.1 115.0 8.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.543 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 45.7 m95 -107.53 121.32 44.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -126.51 149.17 49.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 20.6 p90 -115.77 141.7 47.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.458 HD13 ' NE2' ' A' ' 88' ' ' GLN . 2.2 mp -95.23 107.59 19.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' A' ' 36' ' ' ILE . 23.9 t70 -73.55 167.85 20.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.51 ' C ' ' O ' ' A' ' 33' ' ' ASP . 43.4 mttp -29.02 -72.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -122.46 18.07 10.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.5 mp -132.21 154.17 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.7 m -122.65 98.79 6.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -111.64 176.19 5.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.6 p -121.62 160.31 24.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 31' ' ' TYR . 87.1 m-85 -80.55 166.54 21.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -76.03 179.84 5.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.4 ptpp? -70.94 -34.39 71.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 9.3 mmt -73.54 -45.0 56.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.6 m -75.49 -36.7 60.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -44.0 -40.46 4.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.405 ' CG ' ' N ' ' A' ' 47' ' ' LYS . 6.5 ptp -81.44 -41.83 21.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.405 ' N ' ' CG ' ' A' ' 46' ' ' MET . 62.2 mttm -46.22 -21.88 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.3 mt -93.52 -68.83 0.78 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -40.5 -36.9 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.0 m -59.4 -44.04 91.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.155 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.417 ' C ' HD12 ' A' ' 72' ' ' LEU . . . -71.86 -36.22 70.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.074 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.445 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 12.0 t90 -67.45 -34.37 77.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.4 ' NZ ' HD11 ' A' ' 23' ' ' ILE . 21.8 mmmt -83.67 -32.89 25.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.98 12.28 2.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.8 mtmt 55.1 39.75 31.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -78.48 174.4 11.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -100.64 -35.77 9.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -170.61 149.37 3.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.7 t -126.65 138.31 53.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.5 t -89.94 136.95 22.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.8 m -144.02 141.2 24.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -76.61 104.58 7.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.484 HG21 ' CD2' ' A' ' 64' ' ' HIS . 91.1 mt -115.34 123.77 71.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.484 ' CD2' HG21 ' A' ' 63' ' ' ILE . 13.2 m170 64.49 37.05 8.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.0 m120 66.38 27.15 10.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.0 pt20 -147.19 129.42 15.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.86 133.12 55.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.58 ' CE1' ' CB ' ' A' ' 79' ' ' ALA . 3.6 m-85 -128.47 165.22 21.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 29.0 m -115.11 107.61 15.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.134 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 89.9 t -93.08 116.6 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 75' ' ' ASN . 2.2 t70 -94.7 117.65 30.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.417 HD12 ' C ' ' A' ' 51' ' ' ALA . 7.9 mt -71.45 -40.59 70.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 t -45.95 -54.63 7.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.402 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 9.9 t -97.63 -24.1 15.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.156 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 71' ' ' ASP . 1.7 m120 74.81 48.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 99.2 m -137.99 138.05 38.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -96.93 144.19 27.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.5 m -146.08 149.46 34.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.58 ' CB ' ' CE1' ' A' ' 68' ' ' PHE . . . -140.48 153.25 68.2 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.581 0.705 . . . . 0.0 111.125 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 3.26 2.88 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.727 2.285 . . . . 0.0 112.321 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -88.08 -36.67 16.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.44 ' C ' ' OE1' ' A' ' 83' ' ' GLN . . . 123.65 35.8 0.67 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.562 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.44 ' OE1' ' C ' ' A' ' 82' ' ' GLY . 2.9 mp0 -137.01 140.71 42.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.893 0.378 . . . . 0.0 110.909 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.5 p -139.86 146.0 38.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.532 ' CE2' ' CE2' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -136.76 174.83 10.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.9 m -118.85 124.12 46.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.429 HG22 ' CA ' ' A' ' 75' ' ' ASN . 2.1 m -97.72 137.9 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.134 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.458 ' NE2' HD13 ' A' ' 32' ' ' ILE . 10.0 pt20 -132.03 142.02 49.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.543 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 53.3 ttt-85 -99.69 132.31 45.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.7 mp -135.64 147.91 48.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.8 p -102.42 149.18 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.3 mmtm -121.41 43.46 2.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.66 108.92 2.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.9 t -53.94 106.71 0.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.84 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -114.58 -147.05 9.33 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.475 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 2.78 3.24 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.7 2.267 . . . . 0.0 112.321 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 64.8 p -116.0 86.63 2.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 89.7 p -59.66 121.56 11.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.427 -179.939 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.531 -0.227 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.6 m 60.57 43.6 12.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.827 0.346 . . . . 0.0 110.872 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.9 p -90.37 167.85 12.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.21 156.49 22.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.0 m -60.32 -46.1 91.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.924 0.392 . . . . 0.0 110.837 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -173.93 125.65 0.36 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.16 74.32 1.45 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.542 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.2 ptmm? -134.73 -33.69 0.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.847 0.356 . . . . 0.0 110.959 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.7 t -66.33 -30.52 70.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -84.56 19.11 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 64.1 mtt180 -91.96 167.94 11.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 mp -62.8 127.08 29.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.467 ' O ' ' C ' ' A' ' 14' ' ' LYS . . . -152.84 139.54 18.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 13' ' ' ALA . 5.9 ptpp? 32.94 50.24 0.21 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -70.96 -37.46 72.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 17' ' ' GLU . 12.5 ptmt -57.65 -25.99 60.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 16' ' ' LYS . 6.0 mm-40 -37.0 -35.08 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.934 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.6 t -38.27 -43.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -53.52 -46.5 70.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.937 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.26 -62.05 1.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.113 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 24' ' ' SER . 4.4 p-10 -66.31 -50.23 64.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -41.32 -32.62 0.32 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 23.3 mt -82.61 -38.49 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.138 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 25' ' ' THR . 23.1 m -66.18 -40.4 90.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.811 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 24' ' ' SER . 54.1 p -34.11 -40.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.575 ' CE2' ' CG2' ' A' ' 91' ' ' VAL . 5.8 p90 -126.03 103.0 7.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.452 HG21 ' N ' ' A' ' 28' ' ' GLU . 8.7 p -154.15 151.11 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.115 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.452 ' N ' HG21 ' A' ' 27' ' ' VAL . 33.5 tp10 -127.59 129.48 47.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.511 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 43.8 m95 -121.62 118.84 30.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.459 ' HG2' ' CB ' ' A' ' 39' ' ' CYS . 45.0 mt-30 -123.33 155.21 37.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.543 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 13.8 p90 -123.93 144.2 49.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.47 HD12 ' NE2' ' A' ' 88' ' ' GLN . 2.2 mp -98.28 109.04 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.147 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.518 ' O ' ' C ' ' A' ' 34' ' ' LYS . 18.4 t70 -74.76 167.83 21.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.518 ' C ' ' O ' ' A' ' 33' ' ' ASP . 35.0 mttt -28.51 -72.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -123.15 18.84 9.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.0 mp -132.26 154.1 39.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.181 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.2 m -123.43 103.97 8.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.152 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -120.27 -179.75 4.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.459 ' CB ' ' HG2' ' A' ' 30' ' ' GLN . 31.7 p -127.93 159.3 35.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.543 ' CZ ' ' HB3' ' A' ' 31' ' ' TYR . 99.6 m-85 -79.37 166.34 22.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -75.31 -178.03 3.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.8 pptp? -73.24 -26.29 61.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.467 ' HG3' ' N ' ' A' ' 44' ' ' THR . 16.2 ptm -79.75 -38.87 32.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.467 ' N ' ' HG3' ' A' ' 43' ' ' MET . 96.8 m -82.63 -38.69 23.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -38.89 -41.51 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.8 ptp -77.55 -41.83 37.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -45.57 -22.71 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.2 mt -96.08 -56.81 2.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.438 ' C ' ' OE1' ' A' ' 49' ' ' GLU . 0.7 OUTLIER -50.06 -38.56 38.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.408 ' CG2' ' N ' ' A' ' 51' ' ' ALA . 34.2 m -62.33 -48.38 88.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.462 ' CB ' ' HB ' ' A' ' 59' ' ' THR . . . -64.44 -32.18 73.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.1 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.406 ' CE3' ' C ' ' A' ' 52' ' ' TRP . 14.1 t90 -74.6 -39.57 62.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.427 ' HB3' ' NZ ' ' A' ' 53' ' ' LYS . 0.2 OUTLIER -71.21 -36.98 72.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.87 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.09 10.1 3.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt 53.86 39.78 30.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -76.81 162.78 27.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.876 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -83.38 -38.17 22.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.0 p30 -166.84 152.44 7.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.462 ' HB ' ' CB ' ' A' ' 51' ' ' ALA . 14.0 t -132.12 131.58 42.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.4 t -86.45 134.09 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 32.8 m -138.53 151.98 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -81.37 106.39 13.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.577 HG21 ' CD2' ' A' ' 64' ' ' HIS . 81.6 mt -118.27 116.69 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.577 ' CD2' HG21 ' A' ' 63' ' ' ILE . 8.7 m170 66.41 40.52 3.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.5 t30 64.4 25.67 13.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.485 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.7 pt20 -146.97 127.19 13.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.73 133.3 55.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.584 ' CE2' ' HB1' ' A' ' 79' ' ' ALA . 3.8 m-85 -128.87 151.32 49.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 57.7 m -98.75 107.25 19.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.107 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.5 t -96.12 115.83 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 75' ' ' ASN . 3.5 t0 -93.44 121.86 35.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.7 mt -73.22 -41.97 63.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.8 t -42.53 -53.02 4.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.824 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.448 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 10.2 t -102.01 -19.84 15.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.138 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.448 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.2 m120 70.79 52.66 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 99.7 m -141.22 135.07 30.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.182 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.81 148.64 21.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.058 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.431 HG21 ' N ' ' A' ' 79' ' ' ALA . 21.1 m -151.38 145.37 25.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.584 ' HB1' ' CE2' ' A' ' 68' ' ' PHE . . . -135.4 153.71 78.06 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.56 0.695 . . . . 0.0 111.138 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 3.31 2.84 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.692 2.261 . . . . 0.0 112.385 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -88.17 -39.66 14.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 127.99 33.06 0.61 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.494 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.4 mp0 -134.38 136.02 43.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.911 0.386 . . . . 0.0 110.898 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 33.1 p -135.72 144.99 46.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.201 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.532 ' CE2' ' CE2' ' A' ' 68' ' ' PHE . 0.8 OUTLIER -136.3 175.59 9.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.2 m -121.52 123.55 42.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.172 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.9 m -96.98 134.73 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.148 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.47 ' NE2' HD12 ' A' ' 32' ' ' ILE . 10.0 pt20 -126.15 142.94 51.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.511 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 43.5 ttt-85 -99.07 124.18 43.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.466 ' CD1' ' HG3' ' A' ' 88' ' ' GLN . 0.6 OUTLIER -132.31 122.69 25.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.575 ' CG2' ' CE2' ' A' ' 26' ' ' TYR . 10.3 p -78.92 133.85 29.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.408 ' CG ' ' HB2' ' A' ' 28' ' ' GLU . 42.6 mmtt -109.81 83.73 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -96.2 92.32 6.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 87.4 p -97.36 106.35 18.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -94.45 -158.74 33.51 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.459 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -50.33 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.689 2.259 . . . . 0.0 112.334 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 22.9 t -130.13 147.81 51.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.3 m -147.75 162.0 40.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 -179.952 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.8 p -166.34 129.89 2.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 0.0 110.858 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.5 t -160.09 140.86 12.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.91 -149.7 26.0 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.9 p -148.7 130.71 15.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.873 0.368 . . . . 0.0 110.872 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.2 p -161.34 162.93 31.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.77 -167.62 42.52 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.468 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.78 159.05 2.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.761 0.315 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.0 t -64.67 142.57 58.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.4 mm -68.0 -50.09 62.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.157 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.4 tpp180 -146.96 147.41 30.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 pp -112.14 161.53 16.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -108.17 82.17 1.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.075 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.403 ' O ' ' OE1' ' A' ' 17' ' ' GLU . 21.8 tttp 41.48 48.0 3.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -43.2 -28.04 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -43.19 -29.54 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.432 ' HG2' ' N ' ' A' ' 18' ' ' SER . 1.6 pm0 -40.62 -31.29 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.432 ' N ' ' HG2' ' A' ' 17' ' ' GLU . 3.0 t -49.42 -44.63 45.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 20' ' ' ALA . 24.0 tt0 -50.16 -61.15 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 19' ' ' GLN . . . -34.26 -52.38 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 22' ' ' TYR . 30.9 m-20 -63.91 -58.11 7.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.874 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.429 ' C ' ' O ' ' A' ' 21' ' ' ASP . 26.9 t80 -35.28 -40.04 0.13 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.7 mt -82.51 -53.22 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.119 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.9 m -45.63 -42.17 11.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.8 p -38.98 -40.32 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.157 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.585 ' O ' ' CD2' ' A' ' 26' ' ' TYR . 50.5 p90 -129.09 103.19 6.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.446 HG21 ' N ' ' A' ' 28' ' ' GLU . 13.2 p -153.92 154.41 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.141 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.446 ' N ' HG21 ' A' ' 27' ' ' VAL . 9.0 tp10 -134.08 148.19 50.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.49 ' CE3' ' HB3' ' A' ' 48' ' ' LEU . 44.5 m95 -133.15 121.32 22.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.945 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.428 ' HG2' ' CB ' ' A' ' 39' ' ' CYS . 40.7 mt-30 -124.59 154.0 41.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.571 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 14.7 p90 -122.71 147.08 46.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.473 HD13 ' NE2' ' A' ' 88' ' ' GLN . 2.2 mp -100.07 108.42 22.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' A' ' 36' ' ' ILE . 13.9 t70 -73.89 167.8 20.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.509 ' C ' ' O ' ' A' ' 33' ' ' ASP . 33.8 mtpt -29.09 -70.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -123.94 18.7 9.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.522 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.0 mp -132.31 154.23 39.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.2 m -121.89 99.75 6.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.118 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -112.35 175.63 5.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.428 ' CB ' ' HG2' ' A' ' 30' ' ' GLN . 30.1 p -122.36 162.56 21.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.571 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 76.1 m-85 -85.69 161.83 19.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -71.58 174.22 6.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.401 ' O ' ' OD1' ' A' ' 45' ' ' ASN . 35.5 pttt -70.68 -24.87 62.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 30.6 mtp -82.74 -28.86 30.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 47' ' ' LYS . 62.2 m -88.46 -44.64 10.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.181 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 42' ' ' LYS . 0.2 OUTLIER -38.06 -41.31 0.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.6 ptp -73.35 -37.97 65.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 44' ' ' THR . 49.4 mtmt -55.96 -27.28 51.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.49 ' HB3' ' CE3' ' A' ' 29' ' ' TRP . 92.8 mt -87.46 -49.03 7.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.465 ' CG ' ' N ' ' A' ' 50' ' ' VAL . 4.7 pt-20 -58.56 -45.67 88.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.465 ' N ' ' CG ' ' A' ' 49' ' ' GLU . 29.3 m -51.93 -44.47 38.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.34 -34.17 74.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.598 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 9.4 t90 -74.83 -29.6 61.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.965 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.444 ' HE3' ' CE3' ' A' ' 52' ' ' TRP . 5.6 mmpt? -82.61 -34.34 27.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.837 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.0 12.99 2.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.114 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp 53.0 39.41 29.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -77.84 170.49 16.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -93.15 -36.28 12.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.2 p30 -167.18 153.42 8.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.9 t -131.65 136.18 47.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.7 t -90.07 135.03 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.143 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 30.0 m -139.83 154.88 24.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.3 mp0 -84.95 103.86 14.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.95 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.553 ' CG2' ' CD2' ' A' ' 64' ' ' HIS . 75.3 mt -116.31 114.6 46.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.553 ' CD2' ' CG2' ' A' ' 63' ' ' ILE . 8.5 m170 68.27 41.01 1.97 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 62.79 27.07 15.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.478 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 1.5 pt20 -147.16 127.37 13.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -61.85 132.94 54.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.575 ' CE2' ' HB1' ' A' ' 79' ' ' ALA . 3.9 m-85 -129.29 150.86 50.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 58.9 m -99.62 106.95 18.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 66.9 t -93.35 115.78 32.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 75' ' ' ASN . 7.0 t0 -92.81 119.39 32.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.7 mt -72.9 -40.73 65.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 t -43.92 -55.33 4.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.422 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 8.9 t -98.92 -18.78 17.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.121 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.422 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.3 m120 70.35 54.8 0.3 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.428 ' CG2' ' O ' ' A' ' 85' ' ' PHE . 97.8 m -144.76 136.29 25.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.89 146.28 23.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.9 m -147.97 148.98 31.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.096 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.575 ' HB1' ' CE2' ' A' ' 68' ' ' PHE . . . -139.79 153.89 70.37 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.584 0.707 . . . . 0.0 111.072 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 3.31 2.84 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.665 2.244 . . . . 0.0 112.348 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -88.95 -38.2 14.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.954 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.7 34.88 0.62 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.52 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 11.6 mp0 -134.88 135.59 41.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.863 0.363 . . . . 0.0 110.903 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 43.4 p -137.4 144.84 42.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.465 ' CE2' ' CE2' ' A' ' 68' ' ' PHE . 0.8 OUTLIER -137.63 174.01 11.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 28.7 m -115.86 123.84 49.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.179 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.6 m -97.42 135.2 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.473 ' NE2' HD13 ' A' ' 32' ' ' ILE . 9.0 pt20 -130.39 133.6 46.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.426 ' C ' HD11 ' A' ' 90' ' ' LEU . 50.0 ttt-85 -96.03 126.0 40.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.524 ' N ' ' CD2' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -115.32 163.39 15.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.3 p -118.88 106.01 18.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.067 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.5 mmtm -101.95 116.37 32.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -128.6 140.39 51.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.6 t -48.33 -54.26 14.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.832 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 177.78 -105.78 0.2 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 170.04 17.4 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.675 2.25 . . . . 0.0 112.362 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.9 t -55.41 147.91 16.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.8 m -131.34 164.91 24.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.513 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 3' ' ' SER . 9.3 m -107.09 137.78 44.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.937 0.399 . . . . 0.0 110.806 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 2' ' ' SER . 81.4 p 34.68 42.27 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.851 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.3 -80.48 1.27 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.459 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.6 m -42.65 150.12 0.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.829 0.347 . . . . 0.0 110.894 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.2 t -56.25 -51.58 67.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.819 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.66 -150.03 7.6 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -118.9 40.48 3.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.83 0.347 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.1 t -71.05 100.0 1.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.6 pt -151.53 139.97 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.131 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -128.06 98.93 5.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.494 ' C ' ' CD2' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -81.52 169.05 17.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.01 178.23 9.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.083 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 17' ' ' GLU . 22.6 tptt -132.6 125.6 30.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -39.96 -49.04 2.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.936 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 18' ' ' SER . 24.0 mtmm -64.69 -31.21 72.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 14' ' ' LYS . 4.6 tp10 -37.24 -31.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 16' ' ' LYS . 4.0 t -47.72 -49.56 27.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.424 ' O ' ' C ' ' A' ' 20' ' ' ALA . 18.6 pt20 -83.89 -40.28 18.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 19' ' ' GLN . . . -34.94 -60.07 0.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.089 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -60.75 -44.6 96.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -46.52 -46.29 19.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.936 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.409 ' HB ' ' NZ ' ' A' ' 53' ' ' LYS . 28.9 mt -80.2 -47.56 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.106 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 26' ' ' TYR . 17.3 m -44.76 -46.11 10.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 24' ' ' SER . 29.4 p -34.6 -32.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.496 ' N ' ' O ' ' A' ' 24' ' ' SER . 3.3 p90 -134.41 105.51 6.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.403 HG13 ' CD ' ' A' ' 49' ' ' GLU . 9.8 p -154.13 157.81 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.132 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -134.63 133.66 40.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.491 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 43.1 m95 -128.38 119.35 24.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.428 ' HG2' ' CB ' ' A' ' 39' ' ' CYS . 48.3 mt-30 -124.63 148.02 48.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 29.6 p90 -116.64 142.54 46.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.47 HD12 ' NE2' ' A' ' 88' ' ' GLN . 2.1 mp -96.32 107.25 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.189 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' A' ' 36' ' ' ILE . 6.2 t70 -73.62 167.5 21.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.511 ' C ' ' O ' ' A' ' 33' ' ' ASP . 11.3 mmmt -29.18 -72.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -122.19 17.92 10.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' A' ' 33' ' ' ASP . 3.2 mp -132.27 151.94 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.475 ' N ' HG23 ' A' ' 36' ' ' ILE . 17.3 m -120.13 97.81 5.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -114.76 179.1 4.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.428 ' CB ' ' HG2' ' A' ' 30' ' ' GLN . 27.3 p -124.7 161.06 27.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 31' ' ' TYR . 98.2 m-85 -75.79 179.13 5.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.77 169.5 14.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -66.17 -15.95 63.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 62.4 mtm -92.26 -38.81 11.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 47' ' ' LYS . 99.2 m -78.45 -43.01 28.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -37.95 -39.63 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.1 ptp -79.66 -37.7 35.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 44' ' ' THR . 45.3 mttm -54.51 -20.28 7.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 69.3 mt -93.76 -59.61 1.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.438 ' HA ' ' CZ2' ' A' ' 29' ' ' TRP . 6.6 pt-20 -47.76 -42.8 26.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.411 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 20.6 m -58.38 -37.62 64.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.407 ' C ' HD13 ' A' ' 72' ' ' LEU . . . -76.48 -30.99 57.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.095 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.539 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 10.0 t90 -75.38 -32.5 60.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.409 ' NZ ' ' HB ' ' A' ' 23' ' ' ILE . 6.4 mmmm -87.04 -30.72 20.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.69 7.93 4.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt 59.81 41.26 18.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.4 mmtm -85.81 165.42 16.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.19 -37.94 14.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.0 p30 -167.8 154.24 7.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.6 t -131.21 132.87 44.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.473 HG12 ' N ' ' A' ' 61' ' ' VAL . 53.9 t -88.79 133.92 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.104 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.473 ' N ' HG12 ' A' ' 60' ' ' VAL . 33.5 m -137.21 154.49 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -82.13 104.99 12.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.485 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 85.5 mt -117.99 119.72 62.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.106 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.3 m170 64.36 38.6 7.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 64.37 27.2 13.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.485 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.3 pt20 -147.18 129.08 15.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.953 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.81 132.92 54.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.59 ' CZ ' ' CB ' ' A' ' 79' ' ' ALA . 4.1 m-85 -130.03 151.19 50.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 32.6 m -99.85 108.65 20.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 81.8 t -95.5 112.31 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 75' ' ' ASN . 2.9 t70 -90.26 119.38 30.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.407 HD13 ' C ' ' A' ' 51' ' ' ALA . 6.3 mt -72.43 -41.03 66.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.9 t -42.33 -51.2 4.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.447 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 8.9 t -103.77 -20.27 14.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.164 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.447 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.4 m120 72.47 52.92 0.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.425 ' CG2' ' O ' ' A' ' 85' ' ' PHE . 95.8 m -142.42 135.69 28.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.406 ' N ' HG22 ' A' ' 76' ' ' THR . . . -93.76 146.71 23.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.115 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 45.4 m -145.02 157.3 44.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.59 ' CB ' ' CZ ' ' A' ' 68' ' ' PHE . . . -147.51 152.49 42.02 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.583 0.706 . . . . 0.0 111.056 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 3.33 2.84 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.685 2.256 . . . . 0.0 112.323 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -89.48 -39.2 13.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 127.01 34.39 0.59 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.521 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 12.2 mp0 -133.98 134.84 42.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.908 0.385 . . . . 0.0 110.904 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 44.7 p -135.99 139.05 42.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.462 ' CE2' ' CE2' ' A' ' 68' ' ' PHE . 1.0 OUTLIER -130.36 174.17 10.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.6 m -119.25 124.21 46.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.151 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.7 m -97.69 137.39 25.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.09 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.47 ' NE2' HD12 ' A' ' 32' ' ' ILE . 10.8 pt20 -126.61 144.03 51.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.491 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 55.3 ttt-85 -104.02 129.21 51.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -132.98 130.41 39.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.938 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.0 p -83.91 139.34 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.1 mmtm -118.23 143.09 46.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -99.83 97.64 8.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.092 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 91.9 p -76.95 124.46 27.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.831 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 162.3 -63.57 0.27 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -174.46 0.9 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.9 t -90.57 -60.84 1.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 97.2 p -159.01 113.64 2.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.475 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.429 -0.269 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.2 m -126.22 149.04 49.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.881 0.372 . . . . 0.0 110.816 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 m -68.26 157.42 35.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.72 -151.2 8.5 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.5 p -75.44 107.49 7.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.363 . . . . 0.0 110.838 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -57.49 -49.4 76.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.33 48.53 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.46 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.77 171.34 9.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.778 0.323 . . . . 0.0 110.937 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.4 p -49.65 163.44 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.473 ' O ' ' CG2' ' A' ' 10' ' ' ILE . 5.1 tp -74.91 88.13 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.184 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -54.44 -56.01 23.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.4 mp -141.82 172.86 12.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.39 163.78 3.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.21 164.72 3.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -80.88 -36.68 30.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.89 -24.39 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -40.56 -32.4 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.9 m -40.65 -38.98 0.97 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -66.36 -44.51 83.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -47.94 -44.76 30.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.04 -37.56 81.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -59.53 -19.23 46.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.4 mt -85.09 -57.59 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.167 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 26' ' ' TYR . 75.1 m -61.86 -39.25 91.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.83 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 24' ' ' SER . 9.4 t -33.81 -35.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.131 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.528 ' O ' ' CD2' ' A' ' 26' ' ' TYR . 38.1 p90 -123.06 102.96 8.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.0 p -154.07 157.99 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.1 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.403 ' HB2' ' CG ' ' A' ' 92' ' ' LYS . 4.0 tp10 -129.58 134.43 47.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.545 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 45.3 m95 -130.89 118.28 20.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -122.59 152.45 40.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.549 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 25.6 p90 -119.89 138.66 53.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.961 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.47 HD11 ' NE2' ' A' ' 88' ' ' GLN . 2.2 mp -93.45 106.54 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' A' ' 36' ' ' ILE . 28.5 t70 -73.67 167.62 21.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.517 ' C ' ' O ' ' A' ' 33' ' ' ASP . 21.7 mtpt -28.41 -73.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -122.42 18.76 10.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.519 ' O ' ' N ' ' A' ' 33' ' ' ASP . 3.0 mp -132.26 148.3 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.453 ' N ' HG21 ' A' ' 36' ' ' ILE . 13.1 m -118.06 98.08 6.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.111 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -110.94 177.09 4.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.5 p -124.3 159.54 30.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.549 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 64.7 m-85 -81.84 162.0 22.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -69.91 177.51 3.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -71.75 -28.49 63.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.403 ' HG3' ' N ' ' A' ' 44' ' ' THR . 19.2 ptp -79.24 -44.29 22.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.403 ' N ' ' HG3' ' A' ' 43' ' ' MET . 91.2 m -73.4 -37.4 65.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -41.58 -46.77 3.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.1 ptp -74.49 -38.03 62.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -50.06 -22.99 1.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.7 mt -96.05 -49.77 5.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -55.03 -36.5 65.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.919 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.443 HG23 ' N ' ' A' ' 51' ' ' ALA . 35.9 m -60.38 -43.42 93.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.114 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.443 ' N ' HG23 ' A' ' 50' ' ' VAL . . . -68.07 -32.99 73.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.595 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 8.4 t90 -73.64 -30.44 62.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -85.17 -31.24 23.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.91 10.55 3.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt 57.77 37.06 27.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -81.39 167.62 19.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -95.25 -34.66 12.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -164.55 150.01 10.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.405 ' HB ' ' CB ' ' A' ' 51' ' ' ALA . 4.9 t -127.31 140.66 52.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.16 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.0 t -93.96 134.1 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 29.8 m -140.52 151.54 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.165 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -81.29 107.36 14.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.469 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 85.2 mt -119.48 124.65 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 15.9 m170 62.45 31.09 17.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.6 m120 70.99 27.68 3.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.469 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.4 pt20 -146.89 133.79 20.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.1 130.49 45.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.601 ' CE1' ' CB ' ' A' ' 79' ' ' ALA . 3.8 m-85 -129.35 152.58 48.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.6 m -105.3 109.56 21.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.3 t -95.29 111.4 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 75' ' ' ASN . 11.6 t70 -88.36 116.32 26.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.5 mt -70.33 -41.59 73.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.8 m -43.55 -51.86 6.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.44 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 9.7 t -102.74 -16.22 16.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.167 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.7 OUTLIER 67.47 54.1 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.431 HG23 ' N ' ' A' ' 77' ' ' ALA . 89.9 m -143.24 135.11 26.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.431 ' N ' HG23 ' A' ' 76' ' ' THR . . . -92.94 147.59 22.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.6 m -149.05 147.31 28.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.601 ' CB ' ' CE1' ' A' ' 68' ' ' PHE . . . -138.52 153.21 72.36 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.565 0.697 . . . . 0.0 111.107 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 2.75 3.24 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.37 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 -87.4 -35.8 18.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.446 ' C ' ' OE1' ' A' ' 83' ' ' GLN . . . 123.65 35.74 0.67 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.479 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.446 ' OE1' ' C ' ' A' ' 82' ' ' GLY . 7.6 mp0 -136.33 141.87 43.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 0.0 110.904 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 25.3 p -141.4 144.51 34.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.529 ' CE2' ' CE2' ' A' ' 68' ' ' PHE . 1.0 OUTLIER -136.69 175.18 9.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.9 m -119.49 124.48 46.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.148 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.41 HG23 ' CA ' ' A' ' 75' ' ' ASN . 2.5 m -97.09 137.79 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.47 ' NE2' HD11 ' A' ' 32' ' ' ILE . 12.7 pt20 -128.88 139.53 52.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.545 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 51.6 ttt-85 -99.32 129.7 45.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.0 127.54 30.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.6 t -83.17 119.0 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.403 ' CG ' ' HB2' ' A' ' 28' ' ' GLU . 18.5 mmtp -96.17 81.6 3.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -106.99 82.56 1.7 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.9 t -91.42 136.6 32.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 168.49 73.9 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.524 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -33.07 17.52 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.736 2.291 . . . . 0.0 112.366 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 87.7 p -131.77 177.16 7.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.1 m -117.67 -54.0 2.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.845 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.462 -179.953 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.4 p 41.15 41.7 1.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.924 0.392 . . . . 0.0 110.889 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 t -108.66 155.37 20.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.86 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.81 113.84 3.71 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.469 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 6' ' ' SER . 49.6 p -127.08 -36.74 2.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.36 . . . . 0.0 110.823 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 5' ' ' SER . 43.4 m 34.47 43.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.71 -126.72 7.55 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.447 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -106.69 92.13 3.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.328 . . . . 0.0 110.853 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.4 p -66.29 121.31 14.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.1 mt -103.22 126.71 57.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.139 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.34 151.38 19.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.6 mp -100.98 -57.97 1.98 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.54 -39.61 4.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.091 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt 67.91 42.44 1.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -83.38 -46.07 12.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.4 pttp -40.59 -28.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -37.84 -36.61 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.8 p -45.41 -46.8 13.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -69.55 -50.67 42.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.403 ' CB ' ' HE2' ' A' ' 53' ' ' LYS . . . -41.93 -66.33 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -44.99 -45.9 10.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -49.71 -34.67 19.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 25' ' ' THR . 17.7 mt -94.57 -59.79 2.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.16 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.471 ' O ' ' C ' ' A' ' 25' ' ' THR . 8.8 m -33.18 -35.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.57 HG21 ' CD2' ' A' ' 26' ' ' TYR . 2.0 t -31.92 -42.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.164 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.57 ' CD2' HG21 ' A' ' 25' ' ' THR . 0.2 OUTLIER -123.14 102.98 8.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.938 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.404 HG11 ' CD ' ' A' ' 49' ' ' GLU . 12.0 p -153.78 151.49 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.105 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -130.23 137.06 49.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.431 ' CZ2' ' HA ' ' A' ' 49' ' ' GLU . 50.1 m95 -129.62 112.48 13.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.932 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.427 ' HG2' ' CB ' ' A' ' 39' ' ' CYS . 49.4 mt-30 -120.83 151.96 38.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.571 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 22.8 p90 -117.66 140.48 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.464 HD12 ' NE2' ' A' ' 88' ' ' GLN . 2.3 mp -95.74 106.17 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.101 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.529 ' N ' ' O ' ' A' ' 36' ' ' ILE . 28.5 t0 -73.8 167.84 20.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.516 ' C ' ' O ' ' A' ' 33' ' ' ASP . 19.7 mtpp -27.91 -74.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -121.27 18.04 11.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 33' ' ' ASP . 3.5 mp -132.25 147.16 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.47 ' N ' HG21 ' A' ' 36' ' ' ILE . 15.7 m -116.62 100.97 8.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -114.94 173.44 6.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.427 ' CB ' ' HG2' ' A' ' 30' ' ' GLN . 30.8 p -121.6 158.03 29.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.571 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 83.3 m-85 -77.82 178.21 7.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.441 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 10.6 t70 -82.11 179.51 7.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.852 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.0 pttt -71.2 -34.2 70.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.427 ' HA ' ' CE ' ' A' ' 46' ' ' MET . 9.5 mmt -78.29 -42.02 32.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.408 HG22 ' CD1' ' A' ' 40' ' ' PHE . 92.0 m -76.55 -39.8 51.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 41' ' ' ASP . 0.9 OUTLIER -45.45 -41.08 9.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.427 ' CE ' ' HA ' ' A' ' 43' ' ' MET . 5.5 ptp -79.03 -42.13 27.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.407 ' N ' ' CG ' ' A' ' 46' ' ' MET . 30.9 mttm -45.28 -24.6 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.4 mt -87.69 -50.7 6.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 50' ' ' VAL . 4.9 pt-20 -55.14 -45.82 75.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.452 ' N ' ' CG ' ' A' ' 49' ' ' GLU . 13.2 m -53.67 -33.4 22.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.68 -31.31 41.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.603 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 9.8 t90 -72.79 -28.85 62.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.403 ' HE2' ' CB ' ' A' ' 20' ' ' ALA . 6.2 mmmm -90.07 -29.89 18.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.56 12.53 2.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.039 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt 54.86 40.9 32.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -79.63 170.09 17.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.5 tptp -101.41 -32.44 10.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.839 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -174.3 140.93 0.69 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.7 t -120.39 140.11 51.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.7 t -92.5 137.32 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 30.0 m -143.46 153.11 16.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -82.2 108.38 15.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.642 ' CG2' ' CD2' ' A' ' 64' ' ' HIS . 67.3 mt -120.59 110.53 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.642 ' CD2' ' CG2' ' A' ' 63' ' ' ILE . 6.8 m170 72.0 40.4 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 62.93 28.74 16.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 3.3 pt20 -147.19 132.54 18.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -63.93 130.56 44.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.614 ' CE1' ' CB ' ' A' ' 79' ' ' ALA . 3.8 m-85 -129.32 153.69 47.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.3 m -106.34 109.96 22.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 84.1 t -94.09 109.51 22.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -86.58 119.38 26.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.3 mt -73.22 -40.91 64.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.9 t -43.39 -54.85 4.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.447 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 12.9 t -99.66 -19.39 16.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.187 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.447 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.2 m120 71.5 50.74 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.439 ' CG2' ' O ' ' A' ' 85' ' ' PHE . 97.8 m -140.26 135.8 32.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.82 146.19 23.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.3 m -147.41 147.63 30.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.614 ' CB ' ' CE1' ' A' ' 68' ' ' PHE . . . -138.67 153.36 72.22 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.636 0.732 . . . . 0.0 111.074 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 3.26 2.88 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.648 2.232 . . . . 0.0 112.375 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.1 mm-40 -87.84 -37.23 16.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.02 36.1 0.6 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.525 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -136.92 139.44 41.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.914 0.388 . . . . 0.0 110.929 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 30.5 p -140.27 141.0 35.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.504 ' CE2' ' CE2' ' A' ' 68' ' ' PHE . 0.7 OUTLIER -133.39 174.21 10.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 91.6 m -117.81 123.74 46.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.2 m -97.03 137.58 24.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.161 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.464 ' NE2' HD12 ' A' ' 32' ' ' ILE . 19.9 pt20 -125.99 139.31 53.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.429 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 68.0 ttt-85 -106.27 126.23 51.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.59 138.43 54.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.0 t -91.59 103.24 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.9 mmmm -86.75 162.81 17.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.445 ' HB3' ' CB ' ' A' ' 26' ' ' TYR . . . 70.68 40.29 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.3 t -174.99 130.8 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.858 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -170.02 142.45 7.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.47 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 153.7 68.6 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.705 2.27 . . . . 0.0 112.357 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.9 t 49.71 42.91 24.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.4 t -118.95 83.55 2.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.0 p -147.96 133.17 18.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.947 0.403 . . . . 0.0 110.848 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 4' ' ' GLY . 12.3 m -112.77 88.0 2.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.868 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -35.81 -87.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.0 m -139.19 152.88 47.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.924 0.393 . . . . 0.0 110.815 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.0 t -166.54 161.96 16.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.904 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.73 134.48 5.01 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.461 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.51 162.89 13.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.792 0.329 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 t -93.99 158.5 15.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.5 pt -83.31 145.92 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.13 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 58.1 mtt-85 -104.38 165.63 10.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.3 mt -106.42 40.95 1.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -132.96 155.3 49.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -80.23 134.99 36.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -67.96 -38.29 82.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' A' ' 18' ' ' SER . 0.9 OUTLIER -44.72 -30.47 0.95 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 16' ' ' LYS . 6.4 tm-20 -38.03 -28.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 16' ' ' LYS . 4.1 t -46.78 -45.15 19.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 20' ' ' ALA . 10.2 pt20 -76.21 -41.91 47.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 19' ' ' GLN . . . -34.4 -64.49 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 23' ' ' ILE . 6.6 p-10 -63.67 -53.82 45.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.501 ' CE1' ' OH ' ' A' ' 26' ' ' TYR . 28.0 t80 -35.94 -31.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 21' ' ' ASP . 53.8 mt -85.7 -65.53 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.108 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 23' ' ' ILE . 47.0 m -34.67 -42.88 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 24' ' ' SER . 14.2 p -34.43 -54.59 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.164 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.501 ' OH ' ' CE1' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -117.54 102.82 9.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.937 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.433 HG22 ' CD1' ' A' ' 29' ' ' TRP . 12.3 p -154.33 129.51 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.169 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.457 ' O ' ' CD1' ' A' ' 90' ' ' LEU . 9.7 tp10 -125.99 113.22 16.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.438 ' NE1' ' HB3' ' A' ' 49' ' ' GLU . 33.2 m95 -97.84 124.44 42.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -125.01 155.9 38.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 12.7 p90 -122.58 140.63 52.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.475 HD12 ' NE2' ' A' ' 88' ' ' GLN . 1.9 mp -92.98 108.85 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.146 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' A' ' 36' ' ' ILE . 20.8 t70 -73.8 167.62 21.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 33' ' ' ASP . 4.9 mmmm -30.83 -70.67 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -122.49 16.84 10.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.54 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.9 mp -132.28 154.1 39.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.6 m -120.82 98.89 6.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.187 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -109.61 177.38 4.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.5 m -121.38 162.72 19.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.589 ' CD2' ' CD1' ' A' ' 48' ' ' LEU . 46.5 m-85 -80.4 174.19 11.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -83.25 179.28 7.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.5 pttt -69.85 -34.99 74.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.45 ' HG3' ' N ' ' A' ' 44' ' ' THR . 20.4 ptp -79.09 -40.21 31.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.45 ' N ' ' HG3' ' A' ' 43' ' ' MET . 24.6 m -74.11 -35.08 64.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.18 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -46.52 -45.39 18.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.6 ptp -77.02 -39.07 51.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.0 mttm -49.29 -26.06 2.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.589 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 19.4 mt -91.53 -57.99 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.955 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.438 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 0.3 OUTLIER -49.44 -37.69 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.421 ' CG2' ' N ' ' A' ' 51' ' ' ALA . 33.1 m -62.82 -51.11 76.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.421 ' N ' ' CG2' ' A' ' 50' ' ' VAL . . . -60.89 -32.27 71.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.054 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.547 ' CE3' ' NH1' ' A' ' 89' ' ' ARG . 11.2 t90 -71.47 -36.39 71.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.436 ' NZ ' ' O ' ' A' ' 20' ' ' ALA . 4.9 mmmm -80.79 -33.19 35.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.8 4.21 6.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.074 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.6 mttt 62.54 41.4 9.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -80.61 173.84 12.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.6 tppt? -104.27 -29.89 10.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -172.34 138.16 0.92 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.1 t -116.02 133.16 56.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.404 ' C ' HG12 ' A' ' 61' ' ' VAL . 15.5 t -87.88 135.0 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.186 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.404 HG12 ' C ' ' A' ' 60' ' ' VAL . 30.1 m -143.17 149.56 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -79.67 102.3 8.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.484 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 89.0 mt -115.07 126.51 72.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.407 ' CD2' HG21 ' A' ' 63' ' ' ILE . 11.9 m170 62.4 34.33 15.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 66.79 27.82 9.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.484 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 0.6 OUTLIER -147.11 134.59 20.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -62.17 130.36 45.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.642 ' CE2' ' CE2' ' A' ' 85' ' ' PHE . 3.5 m-85 -129.18 164.93 22.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.8 m -115.85 109.51 17.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 56.1 t -90.83 105.0 15.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.133 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 75' ' ' ASN . 1.9 t70 -81.89 119.59 24.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.411 ' O ' ' OD1' ' A' ' 75' ' ' ASN . 15.0 mt -80.05 -39.4 29.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 m -44.28 -32.9 1.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.8 t -127.11 -13.46 5.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 71' ' ' ASP . 2.9 m-20 69.47 54.87 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.428 HG21 ' N ' ' A' ' 77' ' ' ALA . 98.7 m -141.91 135.57 29.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.158 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.428 ' N ' HG21 ' A' ' 76' ' ' THR . . . -95.03 149.35 21.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.095 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.5 m -151.07 148.33 28.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.613 ' CB ' ' CE1' ' A' ' 68' ' ' PHE . . . -139.37 152.93 70.31 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 0.0 111.083 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 2.05 3.87 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.679 2.252 . . . . 0.0 112.363 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 64.9 mm-40 -86.22 -35.7 19.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.943 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 123.47 33.03 0.84 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -133.82 136.26 44.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.918 0.389 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 32.1 p -134.66 142.49 46.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.642 ' CE2' ' CE2' ' A' ' 68' ' ' PHE . 0.8 OUTLIER -135.06 175.4 9.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.828 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 92.1 m -124.33 125.83 44.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.161 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.7 m -99.53 140.9 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.475 ' NE2' HD12 ' A' ' 32' ' ' ILE . 6.2 pt20 -132.63 135.41 45.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.547 ' NH1' ' CE3' ' A' ' 52' ' ' TRP . 34.9 ttt180 -89.09 130.98 35.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.457 ' CD1' ' O ' ' A' ' 28' ' ' GLU . 0.3 OUTLIER -136.4 142.14 43.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.3 p -101.5 129.55 52.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -84.6 88.2 7.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -124.59 155.85 38.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 35.8 t -115.8 111.08 19.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -130.32 -94.73 0.71 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 151.84 68.81 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.707 2.271 . . . . 0.0 112.284 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 18.8 m -109.28 -46.47 3.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.0 t -52.3 132.64 34.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.9 p -110.47 -45.12 3.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.866 0.365 . . . . 0.0 110.867 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.8 p -143.92 122.71 12.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.51 72.47 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.498 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t -155.48 139.07 15.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.907 0.384 . . . . 0.0 110.824 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.3 t -98.1 124.03 42.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.85 -61.48 5.23 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.484 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.419 ' C ' ' HD2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -93.88 166.77 12.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.787 0.327 . . . . 0.0 110.905 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.7 p -174.68 156.54 2.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.832 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.475 HD11 ' N ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -63.61 149.44 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.905 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -101.36 -44.17 5.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 mp -75.54 87.72 2.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -166.22 -175.93 3.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.075 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.15 35.2 3.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -60.91 -46.63 89.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -41.27 -27.66 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -40.26 -34.86 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.4 t -49.14 -45.54 43.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -55.76 -46.32 77.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.31 -59.62 4.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.059 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 22' ' ' TYR . 27.6 t70 -60.77 -55.81 28.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.432 ' C ' ' O ' ' A' ' 21' ' ' ASP . 12.2 t80 -35.44 -36.26 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.409 ' N ' ' O ' ' A' ' 21' ' ' ASP . 19.5 mt -87.45 -51.63 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.098 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 26' ' ' TYR . 3.2 m -47.41 -42.34 21.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 24' ' ' SER . 12.3 p -34.79 -34.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.162 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.574 ' CD1' ' O ' ' A' ' 26' ' ' TYR . 46.1 p90 -126.53 102.97 7.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.0 p -152.96 157.12 4.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.087 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -134.54 122.93 23.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.532 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 37.8 m95 -118.24 126.64 52.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -127.73 155.58 43.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.563 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 34.6 p90 -122.04 138.15 54.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.989 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.479 HD11 ' NE2' ' A' ' 88' ' ' GLN . 2.1 mp -90.89 106.79 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 36' ' ' ILE . 19.7 t70 -73.48 167.83 20.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.515 ' C ' ' O ' ' A' ' 33' ' ' ASP . 4.4 mtpm? -28.66 -73.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.403 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 32.7 t30 -121.65 17.09 11.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.532 ' O ' ' N ' ' A' ' 33' ' ' ASP . 3.1 mp -132.18 148.29 32.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 26.1 m -116.61 99.64 7.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.165 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -111.69 172.77 6.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.5 p -117.51 167.37 11.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.563 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 55.2 m-85 -90.24 168.64 11.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -81.36 172.98 12.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.29 -19.22 63.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 17.8 mtm -85.7 -29.99 23.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 47' ' ' LYS . 17.9 m -89.12 -48.25 7.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.171 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.444 ' C ' ' ND2' ' A' ' 45' ' ' ASN . 0.1 OUTLIER -35.0 -36.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.45 ' CG ' ' N ' ' A' ' 47' ' ' LYS . 6.9 ptp -76.8 -45.36 29.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.833 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 44' ' ' THR . 42.4 mtmt -49.91 -23.05 1.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.4 mt -92.35 -65.24 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.401 ' CG ' ' N ' ' A' ' 50' ' ' VAL . 6.1 pt-20 -43.45 -42.01 4.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.401 ' N ' ' CG ' ' A' ' 49' ' ' GLU . 22.0 m -55.61 -39.35 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.421 ' C ' HD11 ' A' ' 72' ' ' LEU . . . -74.97 -31.84 61.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.067 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.551 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 9.8 t90 -74.34 -31.6 62.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.1 mmmt -89.38 -26.08 21.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.47 13.93 5.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm 53.76 39.02 29.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.7 mmtm -85.0 164.1 18.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.841 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -88.47 -35.34 17.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.6 p30 -170.49 154.1 4.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.9 t -128.43 133.99 48.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.7 t -85.79 135.27 25.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.176 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 18.4 m -141.62 147.84 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.2 mp0 -78.43 108.39 11.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.475 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 71.5 mt -121.38 124.65 72.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 18.1 m170 62.55 34.48 15.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.7 m120 67.16 28.03 8.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.475 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.4 pt20 -147.09 133.34 19.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -62.03 131.4 49.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.593 ' CE1' ' CB ' ' A' ' 79' ' ' ALA . 3.7 m-85 -129.48 156.97 43.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.4 m -109.22 108.49 19.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 80.8 t -92.31 112.2 25.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -90.19 123.99 34.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.421 HD11 ' C ' ' A' ' 51' ' ' ALA . 7.5 mt -80.56 -31.17 36.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.9 t -46.1 -42.21 13.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.9 t -121.1 -11.88 8.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.175 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.421 ' C ' HG23 ' A' ' 87' ' ' VAL . 2.5 m-20 70.77 54.97 0.26 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.47 ' CG2' ' O ' ' A' ' 85' ' ' PHE . 93.5 m -141.88 136.44 30.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.144 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.418 ' N ' HG23 ' A' ' 76' ' ' THR . . . -95.17 148.58 22.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.091 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.407 ' CG2' HG22 ' A' ' 84' ' ' THR . 11.3 m -148.43 148.8 30.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.593 ' CB ' ' CE1' ' A' ' 68' ' ' PHE . . . -139.31 152.87 70.31 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.541 0.686 . . . . 0.0 111.111 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 2.36 3.58 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.356 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -86.98 -36.1 18.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.413 ' C ' ' OE1' ' A' ' 83' ' ' GLN . . . 123.73 34.23 0.76 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.513 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.413 ' OE1' ' C ' ' A' ' 82' ' ' GLY . 11.4 mp0 -136.56 135.26 38.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.917 0.389 . . . . 0.0 110.872 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.407 HG22 ' CG2' ' A' ' 78' ' ' THR . 31.3 p -136.37 142.55 43.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.541 ' CE2' ' CE2' ' A' ' 68' ' ' PHE . 0.7 OUTLIER -133.38 175.44 9.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.3 m -120.9 125.35 47.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.421 HG23 ' C ' ' A' ' 75' ' ' ASN . 1.8 m -96.87 139.15 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.159 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.479 ' NE2' HD11 ' A' ' 32' ' ' ILE . 17.5 pm0 -125.49 138.55 53.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.532 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 54.1 ttt-85 -98.36 126.41 43.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 90' ' ' LEU . 1.9 mp -135.21 130.92 36.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.9 p -87.84 142.17 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.4 mmtm -130.75 122.57 27.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -163.65 136.37 5.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.139 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.2 p -47.12 106.62 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.828 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -131.58 -166.83 11.75 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.482 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -49.43 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.348 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 38.2 t -71.22 133.63 46.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 93.4 p -66.69 108.7 2.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.462 179.955 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.3 p -154.83 149.9 26.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.903 0.383 . . . . 0.0 110.851 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 t -140.04 160.32 40.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.801 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.98 -48.5 7.66 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 6' ' ' SER . 96.7 p 39.57 42.34 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.929 0.395 . . . . 0.0 110.91 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 5' ' ' SER . 84.5 p 36.17 44.18 0.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.36 144.79 17.12 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.531 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -157.81 158.18 34.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.822 0.344 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 10' ' ' ILE . 73.7 m -120.76 145.8 47.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 9' ' ' SER . 5.3 mp -33.77 138.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.095 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.46 ' N ' ' HD2' ' A' ' 11' ' ' ARG . 3.1 mpt_? -85.68 95.75 9.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.411 HD22 ' N ' ' A' ' 12' ' ' LEU . 2.3 pt? -145.6 137.62 25.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.81 170.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.092 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.479 ' HD2' ' N ' ' A' ' 15' ' ' GLU . 1.1 tmmm? -166.99 153.03 8.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.479 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 3.7 pt-20 -40.52 -28.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -41.09 -26.85 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 15' ' ' GLU . 31.8 tt0 -37.09 -38.04 0.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.1 t -46.36 -47.81 18.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -75.56 -50.26 16.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.36 -57.95 3.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.94 -48.97 79.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.456 ' O ' ' CE2' ' A' ' 26' ' ' TYR . 16.6 t80 -42.95 -43.65 4.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.97 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.411 ' HA ' ' CZ ' ' A' ' 26' ' ' TYR . 43.9 mt -71.31 -61.81 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.141 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 25' ' ' THR . 73.3 m -39.45 -47.47 1.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 24' ' ' SER . 0.2 OUTLIER -32.96 -44.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.171 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.464 ' CD1' ' O ' ' A' ' 26' ' ' TYR . 22.3 p90 -117.49 102.98 9.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.962 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.0 p -151.53 153.9 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -137.49 115.26 11.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.551 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 42.7 m95 -106.7 123.23 47.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -128.53 150.53 50.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 32.1 p90 -116.5 144.3 44.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.466 HD13 ' NE2' ' A' ' 88' ' ' GLN . 2.3 mp -99.64 105.53 17.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.148 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 36' ' ' ILE . 18.9 t70 -73.44 167.77 20.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.51 ' C ' ' O ' ' A' ' 33' ' ' ASP . 12.2 mmmt -28.72 -73.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -121.87 18.52 11.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.527 ' O ' ' N ' ' A' ' 33' ' ' ASP . 2.2 mp -132.14 146.22 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.138 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.8 m -117.48 97.75 6.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -110.94 179.15 4.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.3 p -122.3 164.91 17.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.567 ' CZ ' ' HB3' ' A' ' 31' ' ' TYR . 81.2 m-85 -84.82 162.38 19.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -67.81 179.16 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -73.25 -35.84 66.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.8 mtp -75.54 -38.81 59.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 90.0 m -75.77 -39.35 57.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.448 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 4.2 t-20 -39.35 -48.44 1.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.6 ptp -73.3 -39.69 65.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.5 mttm -48.32 -22.56 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.5 mt -92.74 -57.13 2.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -50.22 -41.09 49.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.8 m -58.2 -35.15 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.461 ' CB ' HD13 ' A' ' 72' ' ' LEU . . . -77.46 -30.76 53.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.051 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.533 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 10.2 t90 -76.5 -32.34 58.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt -85.68 -31.39 22.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.75 14.97 1.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.1 mtmm 51.47 38.47 22.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp -81.14 163.28 23.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.62 -35.46 18.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.5 p30 -172.43 153.44 2.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.2 t -128.68 136.8 51.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.135 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 61' ' ' VAL . 10.0 t -87.63 139.5 17.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.425 ' N ' HG12 ' A' ' 60' ' ' VAL . 33.1 m -144.6 153.97 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -84.42 103.95 14.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.474 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 78.6 mt -117.22 123.25 71.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.448 ' CD2' HG23 ' A' ' 63' ' ' ILE . 12.4 m170 63.5 37.43 10.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 64.6 27.67 13.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.474 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.7 pt20 -147.11 132.54 18.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.01 131.51 49.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.621 ' CE1' ' CB ' ' A' ' 79' ' ' ALA . 3.6 m-85 -129.34 156.26 44.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 48.1 m -107.08 109.02 20.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.079 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 69.4 t -92.77 113.7 28.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.086 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -92.68 120.29 32.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.81 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.461 HD13 ' CB ' ' A' ' 51' ' ' ALA . 6.9 mt -74.31 -41.41 61.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.4 t -44.14 -55.53 4.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.817 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.45 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 9.0 t -97.55 -20.88 17.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.156 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.45 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.3 m120 71.67 49.8 0.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.407 ' CG2' ' O ' ' A' ' 85' ' ' PHE . 97.6 m -140.12 136.17 33.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -93.02 145.44 24.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.0 m -146.58 149.7 34.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.621 ' CB ' ' CE1' ' A' ' 68' ' ' PHE . . . -141.41 153.31 65.71 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.604 0.716 . . . . 0.0 111.078 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 3.12 2.95 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.723 2.282 . . . . 0.0 112.329 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 -88.03 -36.21 17.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 123.7 33.54 0.8 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -134.02 139.75 46.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.92 0.391 . . . . 0.0 110.867 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.4 p -140.31 143.07 35.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.523 ' CE2' ' CE2' ' A' ' 68' ' ' PHE . 0.8 OUTLIER -135.06 175.16 9.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.2 m -118.55 124.25 47.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.095 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.0 m -97.08 136.16 28.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.466 ' NE2' HD13 ' A' ' 32' ' ' ILE . 13.8 pt20 -127.21 137.08 52.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.551 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 64.0 ttt-85 -100.22 128.79 46.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -129.66 142.24 50.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 99.6 t -104.16 118.9 52.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.108 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.39 81.55 5.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -95.92 95.99 8.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.6 m -73.43 120.44 19.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -144.54 162.68 27.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 175.71 7.71 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.672 2.248 . . . . 0.0 112.357 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.4 t 37.2 42.18 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.81 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.7 m -134.18 157.24 46.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.896 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.497 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m -124.25 -52.85 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.895 0.379 . . . . 0.0 110.852 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.9 m 67.47 42.2 2.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.74 127.91 8.17 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.505 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.1 p -87.17 42.26 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.882 0.373 . . . . 0.0 110.88 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.0 p -73.48 -43.93 59.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.91 -150.37 23.35 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.47 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.418 ' HD3' ' C ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -104.92 154.46 20.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.793 0.33 . . . . 0.0 110.897 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.9 t -149.52 160.27 43.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.888 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.1 pt -100.91 80.2 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.18 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -85.04 -36.41 21.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -139.02 154.21 48.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.63 -64.49 1.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -169.84 174.52 5.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -54.96 -41.74 71.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.8 mmtt -43.46 -28.18 0.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.468 ' C ' ' CD ' ' A' ' 17' ' ' GLU . 2.3 tm-20 -38.59 -38.89 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.8 t -43.52 -45.51 6.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 20' ' ' ALA . 28.2 tt0 -70.78 -53.55 15.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 19' ' ' GLN . . . -34.07 -52.39 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.089 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 22' ' ' TYR . 11.8 m-20 -67.32 -50.35 60.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.406 ' C ' ' O ' ' A' ' 21' ' ' ASP . 47.8 t80 -38.06 -37.73 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.0 mt -83.46 -55.29 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 25' ' ' THR . 55.2 m -45.51 -41.91 10.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 24' ' ' SER . 36.0 p -34.04 -40.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.131 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.402 ' CD2' ' OG1' ' A' ' 25' ' ' THR . 1.6 p90 -125.72 104.73 8.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.8 p -153.85 143.29 14.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -126.69 125.65 42.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.484 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 41.3 m95 -111.91 127.06 55.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -127.25 149.52 49.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.519 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 22.3 p90 -118.76 140.28 50.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.467 HD12 ' NE2' ' A' ' 88' ' ' GLN . 2.2 mp -94.04 108.49 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.144 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.518 ' O ' ' C ' ' A' ' 34' ' ' LYS . 30.9 t70 -73.34 167.71 20.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.518 ' C ' ' O ' ' A' ' 33' ' ' ASP . 48.1 mtmt -28.32 -71.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -123.91 18.6 9.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.5 mp -132.21 154.51 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.2 m -121.3 103.94 9.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -118.93 173.77 6.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.5 p -124.9 155.64 39.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.519 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 97.8 m-85 -74.88 175.23 8.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.401 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 59.0 m-20 -81.17 178.13 8.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -29.78 67.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.0 mmt -78.38 -50.16 12.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.44 HG22 ' CD1' ' A' ' 40' ' ' PHE . 78.0 m -71.27 -38.36 71.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.401 ' CB ' ' O ' ' A' ' 41' ' ' ASP . 1.1 t30 -40.97 -43.05 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.5 ptp -77.61 -38.82 47.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -48.28 -21.14 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.4 mt -92.27 -48.87 6.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -56.18 -39.33 72.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.459 HG22 ' N ' ' A' ' 51' ' ' ALA . 30.4 m -56.62 -42.34 76.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.459 ' N ' HG22 ' A' ' 50' ' ' VAL . . . -68.25 -33.03 73.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.117 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.431 ' CE3' ' C ' ' A' ' 52' ' ' TRP . 11.2 t90 -75.26 -39.2 60.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.5 -38.4 71.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.914 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.29 13.67 2.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.8 mtpp 50.26 38.21 16.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.5 mmtm -73.63 168.27 19.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -90.08 -38.15 13.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -168.29 147.38 4.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.6 t -124.92 131.68 53.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.414 ' C ' HG12 ' A' ' 61' ' ' VAL . 32.5 t -86.21 140.05 16.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.159 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.414 HG12 ' C ' ' A' ' 60' ' ' VAL . 35.4 m -146.69 149.74 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -77.14 103.86 7.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.415 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 57.4 mt -117.33 124.79 73.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.418 ' O ' ' HB2' ' A' ' 65' ' ' ASN . 7.2 m170 62.87 35.77 13.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' A' ' 64' ' ' HIS . 2.2 m-80 66.1 26.78 10.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.415 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.3 pt20 -147.33 135.67 21.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -62.31 130.45 45.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.597 ' CE1' ' CB ' ' A' ' 79' ' ' ALA . 3.7 m-85 -129.41 156.35 44.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 49.6 m -107.61 110.42 22.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 86.6 t -93.54 111.69 25.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.089 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -91.47 122.05 33.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.401 ' O ' ' OD1' ' A' ' 75' ' ' ASN . 8.7 mt -77.77 -36.47 50.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.3 t -40.36 -44.69 2.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.9 t -118.57 -15.52 9.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.185 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.433 ' C ' HG22 ' A' ' 87' ' ' VAL . 5.3 m-20 73.62 54.03 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.447 HG21 ' N ' ' A' ' 77' ' ' ALA . 86.1 m -140.06 135.81 33.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.447 ' N ' HG21 ' A' ' 76' ' ' THR . . . -94.71 146.83 23.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.447 ' CG2' HG21 ' A' ' 84' ' ' THR . 7.4 m -147.88 148.34 30.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.186 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.597 ' CB ' ' CE1' ' A' ' 68' ' ' PHE . . . -138.35 153.2 72.67 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.544 0.688 . . . . 0.0 111.134 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 3.14 2.94 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.692 2.261 . . . . 0.0 112.336 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -87.71 -37.48 16.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.78 34.9 0.62 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.467 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.1 mp0 -136.4 137.74 40.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.899 0.38 . . . . 0.0 110.906 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.447 HG21 ' CG2' ' A' ' 78' ' ' THR . 32.7 p -138.84 139.79 38.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.535 ' CE2' ' CE2' ' A' ' 68' ' ' PHE . 0.7 OUTLIER -131.41 174.31 10.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.7 m -119.64 124.27 45.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.101 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.433 HG22 ' C ' ' A' ' 75' ' ' ASN . 0.8 OUTLIER -97.15 143.66 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 179.848 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.467 ' NE2' HD12 ' A' ' 32' ' ' ILE . 11.4 pt20 -132.82 141.27 48.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.484 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 47.7 ttt-85 -100.32 127.91 46.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -135.85 131.89 35.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.6 p -90.37 127.48 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.108 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -95.2 107.83 19.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -105.58 -60.26 1.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.149 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 51.1 m -91.3 101.35 14.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.826 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -123.7 -76.12 0.31 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.492 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 1.69 4.2 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.659 2.239 . . . . 0.0 112.39 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 26.0 t -137.8 136.61 37.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.3 m -51.99 167.34 0.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 179.976 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 t -70.44 131.27 43.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.912 0.387 . . . . 0.0 110.798 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.1 p -51.89 -45.37 64.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.29 -54.14 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.518 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 m -161.43 136.78 7.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 110.892 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.7 m -153.13 137.87 17.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.845 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.53 133.2 2.04 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.466 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.462 ' HD2' ' N ' ' A' ' 9' ' ' SER . 2.4 pptp? -126.02 -37.01 2.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.831 0.348 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.462 ' N ' ' HD2' ' A' ' 8' ' ' LYS . 20.2 t -45.13 117.91 1.51 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.4 pt -140.72 152.71 20.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 46.7 mmm-85 -149.73 168.72 22.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.8 mt -112.21 145.8 39.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.956 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -47.95 173.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.115 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -164.66 158.1 17.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.465 ' HG3' ' N ' ' A' ' 16' ' ' LYS . 12.4 pt-20 -51.05 -43.59 60.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.465 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 31.9 pttt -56.5 -29.86 62.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -38.02 -31.77 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 16' ' ' LYS . 45.3 t -48.11 -46.84 34.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -72.73 -37.36 67.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.98 -59.68 1.39 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.124 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -67.02 -38.0 85.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.489 ' O ' ' CZ ' ' A' ' 26' ' ' TYR . 7.5 t80 -47.95 -37.36 14.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.9 mt -96.6 -51.12 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.072 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.508 ' O ' ' N ' ' A' ' 26' ' ' TYR . 4.3 m -48.58 -43.6 36.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.687 ' CG2' ' CD2' ' A' ' 26' ' ' TYR . 5.0 t -34.16 -32.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.181 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.687 ' CD2' ' CG2' ' A' ' 25' ' ' THR . 1.6 p90 -129.85 105.33 7.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.478 HG22 ' CD1' ' A' ' 29' ' ' TRP . 8.5 p -155.04 139.95 9.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.424 ' CD ' ' HE3' ' A' ' 92' ' ' LYS . 6.8 tt0 -133.22 117.16 17.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.511 ' CE2' ' HG3' ' A' ' 89' ' ' ARG . 56.7 m95 -110.6 121.45 45.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -124.83 148.71 48.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 19.5 p90 -117.97 145.67 44.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.472 HD11 ' NE2' ' A' ' 88' ' ' GLN . 2.3 mp -99.68 105.95 18.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.139 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.53 ' O ' ' C ' ' A' ' 34' ' ' LYS . 15.5 t70 -73.77 167.66 20.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.53 ' C ' ' O ' ' A' ' 33' ' ' ASP . 21.3 mtpp -27.43 -74.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -122.27 19.01 10.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' A' ' 33' ' ' ASP . 3.2 mp -132.32 146.83 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.443 ' N ' HG21 ' A' ' 36' ' ' ILE . 23.6 m -116.76 97.75 6.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -112.75 179.61 3.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.4 p -123.34 155.75 36.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 31' ' ' TYR . 90.7 m-85 -71.44 174.7 6.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.854 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -81.69 178.88 8.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -69.42 -35.51 75.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 22.8 mtp -75.49 -47.38 27.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.486 HG23 ' CD1' ' A' ' 40' ' ' PHE . 97.8 m -69.46 -37.99 77.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -41.07 -46.16 2.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.0 ptp -78.02 -37.67 46.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -49.32 -28.41 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.7 mt -86.14 -53.41 5.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.448 ' CG ' ' N ' ' A' ' 50' ' ' VAL . 5.0 pt-20 -51.79 -45.07 63.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.459 HG23 ' N ' ' A' ' 51' ' ' ALA . 27.0 m -52.29 -46.65 45.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.459 ' N ' HG23 ' A' ' 50' ' ' VAL . . . -65.36 -30.13 70.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.055 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.423 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 10.3 t90 -73.0 -38.42 66.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -79.22 -30.91 43.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.97 16.37 1.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.071 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm 47.23 39.99 9.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.0 mmtm -81.77 160.73 23.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -84.86 -35.75 22.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.1 p30 -167.4 156.03 9.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.0 t -133.07 134.96 45.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.0 t -84.87 134.96 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.091 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 35.3 m -141.73 141.12 30.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -76.4 104.42 6.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.517 HG23 ' CD2' ' A' ' 64' ' ' HIS . 97.6 mt -114.69 119.54 61.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.517 ' CD2' HG23 ' A' ' 63' ' ' ILE . 11.3 m170 66.73 41.16 3.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 63.93 25.84 14.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.489 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 1.6 pt20 -147.12 126.85 13.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -61.66 134.56 56.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.582 ' CE2' ' HB1' ' A' ' 79' ' ' ALA . 3.5 m-85 -128.79 165.2 21.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 47.3 m -112.16 104.94 13.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.121 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.6 t -91.95 118.14 36.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 75' ' ' ASN . 3.1 t70 -97.22 122.27 40.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.2 mt -75.54 -41.22 55.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.6 t -42.58 -49.14 5.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.435 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 8.9 t -106.45 -20.43 13.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.118 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.435 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.5 m120 72.53 52.75 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.402 HG21 ' N ' ' A' ' 77' ' ' ALA . 98.5 m -142.54 137.08 29.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.402 ' N ' HG21 ' A' ' 76' ' ' THR . . . -95.13 146.47 24.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 97.6 m -146.59 156.62 43.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.183 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.582 ' HB1' ' CE2' ' A' ' 68' ' ' PHE . . . -147.72 154.05 43.72 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.525 0.679 . . . . 0.0 111.179 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 1.18 4.65 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.66 2.24 . . . . 0.0 112.373 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -86.52 -39.08 16.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.403 ' C ' ' OE1' ' A' ' 83' ' ' GLN . . . 125.91 34.94 0.61 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.403 ' OE1' ' C ' ' A' ' 82' ' ' GLY . 2.7 mp0 -133.92 136.54 44.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.895 0.379 . . . . 0.0 110.868 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 43.7 p -137.35 141.25 41.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.522 ' CE2' ' CE2' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -134.21 173.84 11.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.8 m -117.15 124.78 49.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.174 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.9 m -97.22 136.86 26.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.136 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.472 ' NE2' HD11 ' A' ' 32' ' ' ILE . 12.2 pt20 -131.33 139.16 49.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.511 ' HG3' ' CE2' ' A' ' 29' ' ' TRP . 36.3 ttt180 -101.86 131.04 48.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.459 HD11 ' N ' ' A' ' 90' ' ' LEU . 1.1 mp -136.42 122.47 20.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.434 HG23 ' N ' ' A' ' 92' ' ' LYS . 12.6 p -81.31 147.96 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.091 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.434 ' N ' HG23 ' A' ' 91' ' ' VAL . 35.7 mmtt -122.33 94.46 4.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.888 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -108.54 156.47 19.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 73.2 m -85.75 148.63 25.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -157.11 87.55 0.12 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.494 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 97' ' ' SER . 53.5 Cg_endo -69.78 1.82 4.1 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.351 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 96' ' ' PRO . 5.6 t -36.64 -46.69 0.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.6 p -80.71 -45.48 17.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.513 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.8 m -153.2 169.3 23.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.863 0.363 . . . . 0.0 110.904 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.9 m -109.36 172.28 6.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.66 -69.8 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.461 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.1 m 40.86 42.19 1.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.838 0.351 . . . . 0.0 110.838 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -108.09 -58.35 1.99 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.26 46.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.467 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -43.98 134.44 4.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.782 0.325 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.8 m -117.54 42.15 2.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.7 mm -79.98 119.5 29.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.1 ptt-85 -55.34 175.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -47.73 144.09 3.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.25 -55.28 6.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.94 139.05 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -82.35 -43.17 17.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -49.06 -21.97 0.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -40.9 -39.71 1.21 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.3 t -42.48 -44.88 4.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.821 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -75.86 -44.97 38.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.77 -47.06 42.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -73.37 -41.5 63.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.58 ' O ' ' CE2' ' A' ' 26' ' ' TYR . 30.3 t80 -48.16 -44.04 32.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.488 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 21.3 mt -79.19 -54.38 11.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.147 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 25' ' ' THR . 45.3 m -38.6 -48.56 1.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.518 ' OG1' ' CD2' ' A' ' 26' ' ' TYR . 81.9 p -37.33 -43.39 0.54 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.135 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.58 ' CE2' ' O ' ' A' ' 22' ' ' TYR . 2.3 p90 -118.74 103.55 9.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.911 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.6 p -154.03 143.42 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.148 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.463 ' O ' ' CD1' ' A' ' 90' ' ' LEU . 4.9 tp10 -126.39 107.54 10.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.487 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 48.3 m95 -94.96 121.86 37.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -126.35 149.59 49.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.568 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 26.4 p90 -118.25 141.44 48.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.463 HD13 ' NE2' ' A' ' 88' ' ' GLN . 2.1 mp -96.49 109.43 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.129 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' A' ' 36' ' ' ILE . 18.2 t70 -76.18 167.53 21.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.809 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.503 ' C ' ' O ' ' A' ' 33' ' ' ASP . 33.2 mmtt -29.72 -73.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -120.25 17.77 12.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.514 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.7 mp -132.33 154.17 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.9 m -123.13 98.13 5.74 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -110.72 177.78 4.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.5 p -129.2 154.03 47.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 31' ' ' TYR . 96.1 m-85 -71.76 172.59 9.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.87 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.68 -179.45 7.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -71.03 -35.5 72.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 42.8 mmm -72.58 -45.72 57.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.846 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.476 HG23 ' CD2' ' A' ' 40' ' ' PHE . 71.5 m -74.69 -38.86 62.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.149 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -40.24 -40.2 1.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.2 ptp -81.54 -39.63 24.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 51.4 mttm -47.89 -28.83 2.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.432 HD21 ' CG2' ' A' ' 59' ' ' THR . 81.7 mt -83.75 -59.56 2.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.507 ' CG ' ' N ' ' A' ' 50' ' ' VAL . 4.8 pt-20 -48.5 -48.98 37.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.507 ' N ' ' CG ' ' A' ' 49' ' ' GLU . 34.7 m -46.84 -44.72 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.447 ' N ' HG22 ' A' ' 50' ' ' VAL . . . -68.85 -34.54 75.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.059 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.599 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 8.9 t90 -70.64 -29.23 65.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -87.09 -29.86 21.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.4 11.93 5.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm 56.3 38.44 29.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -75.62 175.37 8.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.94 -31.48 8.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -171.47 143.14 1.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.432 ' CG2' HD21 ' A' ' 48' ' ' LEU . 9.9 t -121.99 130.76 53.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.7 t -85.02 138.34 19.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.5 m -145.06 155.99 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.093 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -85.36 110.74 19.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.573 HG21 ' CD2' ' A' ' 64' ' ' HIS . 96.7 mt -123.02 123.86 68.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.573 ' CD2' HG21 ' A' ' 63' ' ' ILE . 13.5 m170 64.37 27.17 13.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 74.76 28.36 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.474 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.7 pt20 -147.12 134.77 21.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -62.2 129.04 38.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.592 ' CE1' ' CB ' ' A' ' 79' ' ' ALA . 3.9 m-85 -129.35 153.69 47.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 44.8 m -104.85 108.1 19.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.4 t -91.42 109.34 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -86.95 121.15 29.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.7 mt -74.99 -42.45 57.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.6 t -45.58 -54.2 7.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.4 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 8.2 t -96.79 -18.79 19.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.401 ' CA ' HG23 ' A' ' 87' ' ' VAL . 1.3 m120 68.3 46.72 1.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.452 ' CG2' ' O ' ' A' ' 85' ' ' PHE . 97.5 m -138.89 136.11 35.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.85 147.19 23.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.3 m -148.68 146.98 28.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.592 ' CB ' ' CE1' ' A' ' 68' ' ' PHE . . . -137.95 153.1 73.32 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.546 0.689 . . . . 0.0 111.122 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 2.8 3.19 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.247 . . . . 0.0 112.343 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 57.3 mm-40 -87.39 -35.92 18.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 124.38 33.75 0.75 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -134.98 141.43 46.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.351 . . . . 0.0 110.93 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 30.2 p -142.3 141.73 32.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.173 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.499 ' CE2' ' CE2' ' A' ' 68' ' ' PHE . 1.0 OUTLIER -132.41 175.11 9.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.849 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.9 m -120.39 124.24 45.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.172 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.401 HG23 ' CA ' ' A' ' 75' ' ' ASN . 2.7 m -97.14 136.07 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.463 ' NE2' HD13 ' A' ' 32' ' ' ILE . 9.0 pt20 -126.12 135.74 52.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.487 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 44.4 ttt-85 -95.9 128.95 43.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.463 ' CD1' ' O ' ' A' ' 28' ' ' GLU . 0.8 OUTLIER -131.85 143.7 50.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.9 p -102.58 140.16 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? -99.35 169.79 9.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -171.21 158.78 5.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.083 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 35.8 m -116.29 113.69 23.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.48 -141.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.46 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 86.66 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.653 2.235 . . . . 0.0 112.358 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.5 t -50.02 103.39 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 73.9 m -64.01 109.91 1.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.473 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.2 m -70.43 -47.44 60.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.825 0.345 . . . . 0.0 110.848 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.2 t -162.85 132.95 4.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.87 149.58 5.37 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.8 p -78.51 114.93 17.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.912 0.387 . . . . 0.0 110.85 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.5 t -44.59 111.48 0.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.73 -101.48 0.53 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.52 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.38 175.99 7.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.3 t -104.99 84.66 2.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.6 pt -109.25 39.91 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.127 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.4 mtt85 -108.09 175.66 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.8 mt -91.45 146.05 24.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.52 47.06 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.077 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.3 tmtm? -134.71 98.09 3.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -89.57 -37.38 14.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 18' ' ' SER . 47.9 mmtt -39.76 -32.06 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 16' ' ' LYS . 4.4 pt-20 -37.69 -28.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 16' ' ' LYS . 47.2 p -50.29 -48.92 54.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.901 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 20' ' ' ALA . 16.0 pt20 -85.91 -39.08 17.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 19' ' ' GLN . . . -35.99 -47.72 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 22' ' ' TYR . 0.9 OUTLIER -61.58 -52.4 64.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.443 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 5.3 t80 -37.45 -45.47 0.72 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.6 mt -62.79 -51.37 72.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 25' ' ' THR . 50.0 m -59.07 -40.33 84.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.457 ' C ' ' O ' ' A' ' 24' ' ' SER . 0.2 OUTLIER -32.95 -41.69 0.07 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.136 -179.899 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -119.09 102.89 9.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.513 HG21 ' CD1' ' A' ' 29' ' ' TRP . 10.5 p -154.11 153.32 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.449 ' O ' ' CD1' ' A' ' 90' ' ' LEU . 10.8 tt0 -134.77 106.08 6.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.521 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 47.6 m95 -97.67 121.99 40.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -124.86 153.16 43.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.95 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.544 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 20.5 p90 -121.67 139.63 53.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.903 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.456 HD13 ' NE2' ' A' ' 88' ' ' GLN . 2.1 mp -94.06 108.03 20.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.124 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 36' ' ' ILE . 17.9 t70 -73.85 167.43 21.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.824 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.513 ' C ' ' O ' ' A' ' 33' ' ' ASP . 4.4 mmmm -28.95 -70.18 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -124.91 19.05 8.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.524 ' O ' ' N ' ' A' ' 33' ' ' ASP . 3.5 mp -132.47 150.82 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.5 m -120.41 102.95 8.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -115.53 179.07 4.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.958 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.2 m -117.99 161.29 20.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.567 ' CD2' ' CD1' ' A' ' 48' ' ' LEU . 38.3 m-85 -79.78 158.3 26.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 43' ' ' MET . 1.0 OUTLIER -75.43 138.83 41.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 41' ' ' ASP . 18.2 ptpt -36.59 -29.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.506 ' N ' ' O ' ' A' ' 41' ' ' ASP . 87.5 mmm -74.12 -48.53 28.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 41' ' ' ASP . 88.6 m -72.54 -38.5 67.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 44' ' ' THR . 2.6 t-20 -36.8 -39.19 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.6 ptp -85.46 -39.17 17.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 44' ' ' THR . 14.6 mtpt -54.51 -20.59 8.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.567 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 74.8 mt -95.65 -50.18 5.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.453 ' C ' ' OE1' ' A' ' 49' ' ' GLU . 0.8 OUTLIER -59.79 -34.63 73.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.465 HG22 ' N ' ' A' ' 51' ' ' ALA . 30.0 m -56.95 -42.03 78.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.465 ' N ' HG22 ' A' ' 50' ' ' VAL . . . -74.48 -30.57 61.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.543 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 10.1 t90 -71.09 -32.09 68.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -85.29 -30.49 23.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -83.13 15.72 2.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.088 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.4 mtpt 51.69 37.65 20.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.2 mmmt -76.8 166.82 22.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.25 -33.34 12.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -165.18 148.84 8.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.419 ' HB ' ' CB ' ' A' ' 51' ' ' ALA . 13.0 t -131.35 130.45 42.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 31.1 t -85.81 140.61 15.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.3 m -144.14 155.12 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 -83.69 106.78 15.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.503 HG23 ' CD2' ' A' ' 64' ' ' HIS . 85.7 mt -120.13 121.03 64.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.503 ' CD2' HG23 ' A' ' 63' ' ' ILE . 11.1 m170 64.04 36.59 9.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 66.59 25.87 9.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.469 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 1.2 pt20 -146.17 128.7 16.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.0 p-10 -61.81 132.28 52.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 79' ' ' ALA . 4.1 m-85 -129.22 152.13 49.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.7 m -100.66 107.83 19.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 69.1 t -94.59 114.58 31.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.117 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 75' ' ' ASN . 1.6 t70 -92.02 123.43 35.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.7 mt -74.92 -43.25 55.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 t -41.54 -52.33 3.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.459 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 11.0 t -102.42 -18.97 15.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.108 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.459 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.1 m120 69.82 51.81 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.472 ' CG2' ' O ' ' A' ' 85' ' ' PHE . 99.2 m -141.08 137.2 32.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.161 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.447 ' N ' HG23 ' A' ' 76' ' ' THR . . . -93.24 149.76 20.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.4 m -151.61 148.83 28.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.203 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.564 ' HB3' ' CE2' ' A' ' 68' ' ' PHE . . . -139.01 153.5 71.72 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.558 0.695 . . . . 0.0 111.11 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 3.51 2.74 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.659 2.24 . . . . 0.0 112.339 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -89.53 -36.76 15.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.34 35.29 0.62 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -133.4 139.23 46.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.361 . . . . 0.0 110.904 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 43.4 p -139.04 144.52 38.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.138 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.525 ' CE2' ' CE2' ' A' ' 68' ' ' PHE . 1.4 m-85 -138.77 175.08 9.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 33.0 m -119.71 124.37 46.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.178 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.9 m -97.56 133.32 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.186 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.456 ' NE2' HD13 ' A' ' 32' ' ' ILE . 9.5 pt20 -126.89 140.74 52.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.521 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 35.7 ttt-85 -97.32 132.91 42.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.449 ' CD1' ' O ' ' A' ' 28' ' ' GLU . 1.3 mp -135.05 143.61 46.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 95.4 t -109.6 123.53 65.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.8 mmpt? -80.26 85.07 5.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -81.85 39.97 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 77.8 p -109.98 125.47 52.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.846 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -56.42 141.84 40.86 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 1.42 4.44 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.667 2.245 . . . . 0.0 112.333 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.3 m 61.49 42.49 11.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 82.8 p -79.75 170.17 16.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.4 m -81.14 138.04 35.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 0.0 110.827 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.3 p -84.67 -48.59 9.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.66 -64.34 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.465 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -146.87 119.73 8.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.891 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.0 t -58.4 132.86 54.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.3 91.03 0.12 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.63 152.46 20.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.783 0.325 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.44 ' HB3' ' CD1' ' A' ' 10' ' ' ILE . 1.9 t -95.3 158.15 15.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.44 ' CD1' ' HB3' ' A' ' 9' ' ' SER . 4.3 mp 57.24 51.94 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -77.32 84.14 3.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 pp -43.73 149.03 0.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.79 -175.09 2.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.111 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.74 15.98 1.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -85.39 -50.67 7.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 17' ' ' GLU . 18.4 tptt -64.81 -5.57 6.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 16' ' ' LYS . 20.7 mm-40 -37.76 -36.34 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 19' ' ' GLN . 13.9 t -45.46 -44.88 12.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 18' ' ' SER . 7.9 pt20 -35.57 -39.52 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.72 -56.7 17.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -71.04 -41.88 70.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -52.38 -33.49 43.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.413 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 23.6 mt -94.35 -56.82 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.154 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 26' ' ' TYR . 11.0 m -49.82 -42.43 47.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 24' ' ' SER . 2.6 t -33.6 -33.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.601 ' O ' ' CD2' ' A' ' 26' ' ' TYR . 55.6 p90 -125.14 105.1 8.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.47 HG22 ' CD1' ' A' ' 29' ' ' TRP . 14.6 p -154.22 158.12 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.159 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -134.8 118.55 17.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.491 ' CE2' ' HG3' ' A' ' 89' ' ' ARG . 41.0 m95 -115.13 119.77 37.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.458 ' HG2' ' CB ' ' A' ' 39' ' ' CYS . 42.7 mt-30 -123.78 154.38 39.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.564 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 22.7 p90 -119.58 140.32 50.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.46 HD13 ' NE2' ' A' ' 88' ' ' GLN . 2.4 mp -95.4 107.74 20.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.16 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' A' ' 36' ' ' ILE . 6.8 t70 -73.74 167.62 21.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.505 ' C ' ' O ' ' A' ' 33' ' ' ASP . 7.9 mtmp? -28.63 -72.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -122.29 18.42 10.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.519 ' O ' ' N ' ' A' ' 33' ' ' ASP . 3.3 mp -132.17 150.61 33.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.185 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.2 m -120.83 106.03 11.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -121.05 171.21 8.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.458 ' CB ' ' HG2' ' A' ' 30' ' ' GLN . 29.0 p -113.23 160.2 18.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 45.1 m-85 -78.38 173.79 11.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -71.58 164.2 26.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.3 ptpt -61.96 -25.7 67.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 91.1 mmm -89.5 -43.37 10.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.557 HG23 ' CD1' ' A' ' 40' ' ' PHE . 91.9 m -66.76 -40.69 88.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.426 ' CG ' ' N ' ' A' ' 46' ' ' MET . 1.1 p-10 -37.78 -47.81 1.04 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.426 ' N ' ' CG ' ' A' ' 45' ' ' ASN . 7.2 ptp -75.12 -37.46 61.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.1 mttt -50.58 -18.67 0.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.442 HD13 ' CE2' ' A' ' 40' ' ' PHE . 75.9 mt -96.07 -39.21 9.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -66.7 -40.09 88.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.938 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.6 m -56.69 -34.97 43.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.407 ' C ' HD13 ' A' ' 72' ' ' LEU . . . -76.71 -30.73 56.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.545 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 10.9 t90 -74.34 -30.31 61.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -88.16 -29.44 20.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.3 17.09 1.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt 51.21 39.05 22.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.9 mmtp -83.53 164.24 19.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.949 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.56 -34.52 12.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -165.2 151.86 10.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.6 t -130.11 131.42 45.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.151 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.2 t -84.43 137.33 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 30.4 m -144.24 149.33 17.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -79.28 104.54 9.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.488 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 67.4 mt -117.21 121.98 68.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.406 ' O ' ' HB2' ' A' ' 65' ' ' ASN . 13.7 m170 63.15 38.96 10.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 64' ' ' HIS . 3.7 m-20 64.35 26.75 13.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.488 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.5 pt20 -147.08 131.35 17.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.954 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -61.73 131.23 49.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.596 ' CE1' ' CB ' ' A' ' 79' ' ' ALA . 3.7 m-85 -129.29 152.21 49.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 56.0 m -102.83 108.77 20.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 74.4 t -92.7 110.76 23.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 75' ' ' ASN . 7.1 t0 -89.39 116.92 27.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.407 HD13 ' C ' ' A' ' 51' ' ' ALA . 10.3 mt -72.4 -43.45 63.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 m -42.58 -52.48 4.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.816 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.4 t -100.75 -16.24 17.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.127 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 71' ' ' ASP . 1.4 m120 67.06 52.6 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.472 ' CG2' ' O ' ' A' ' 85' ' ' PHE . 97.7 m -143.87 135.55 26.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.79 150.28 20.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.3 m -152.04 147.41 26.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.141 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.596 ' CB ' ' CE1' ' A' ' 68' ' ' PHE . . . -137.72 153.5 74.05 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.537 0.684 . . . . 0.0 111.089 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 2.26 3.7 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.66 2.24 . . . . 0.0 112.316 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -86.2 -37.69 18.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.81 36.36 0.55 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.489 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -138.01 140.27 40.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.7 p -139.57 144.1 37.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.188 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.543 ' CE2' ' CE2' ' A' ' 68' ' ' PHE . 1.1 m-85 -136.25 175.03 9.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.6 m -118.1 125.46 50.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.184 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.417 HG22 ' CA ' ' A' ' 75' ' ' ASN . 3.7 m -97.32 139.22 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.46 ' NE2' HD13 ' A' ' 32' ' ' ILE . 17.4 pt20 -130.7 135.61 47.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.491 ' HG3' ' CE2' ' A' ' 29' ' ' TRP . 44.5 ttt180 -98.0 127.13 43.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -130.18 141.16 50.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.4 p -90.89 140.03 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? -100.48 137.47 38.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -126.23 -58.04 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.081 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.6 t -41.69 144.34 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 124.4 179.78 15.86 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.504 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 2.73 3.26 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.715 2.276 . . . . 0.0 112.337 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.3 p -68.43 -53.38 23.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 85.3 p -55.44 112.85 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 -179.946 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -123.11 -53.62 1.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.826 0.346 . . . . 0.0 110.833 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 t -148.86 127.86 12.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.46 54.94 0.77 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.4 m -51.04 -56.16 13.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.371 . . . . 0.0 110.852 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -95.99 105.53 17.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.06 -43.95 0.64 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.46 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -171.33 134.48 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 110.86 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.0 p -158.38 113.67 2.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.82 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.6 mm -63.98 -60.55 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.103 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -137.05 161.97 34.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.9 mt -96.42 39.93 1.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.09 80.78 1.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -170.85 166.21 7.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -45.45 -36.2 4.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 17' ' ' GLU . 22.2 mmmt -40.25 -30.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 16' ' ' LYS . 0.5 OUTLIER -37.0 -39.61 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 t -42.58 -46.87 5.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -39.7 -51.38 2.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.14 -52.59 7.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.064 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -71.22 -38.13 72.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.563 ' O ' ' CE2' ' A' ' 26' ' ' TYR . 12.9 t80 -51.04 -32.68 22.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.496 ' HA ' ' CZ ' ' A' ' 26' ' ' TYR . 22.6 mt -94.67 -54.91 6.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.164 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 26' ' ' TYR . 14.4 m -48.84 -42.46 36.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.563 HG23 ' CD2' ' A' ' 26' ' ' TYR . 1.3 t -33.73 -33.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.563 ' CE2' ' O ' ' A' ' 22' ' ' TYR . 2.6 p90 -125.23 105.96 9.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.473 ' CG1' ' OE1' ' A' ' 49' ' ' GLU . 9.6 p -154.13 147.39 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -127.09 127.03 44.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.53 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 53.0 m95 -120.98 115.17 22.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -121.77 152.06 39.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.511 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 17.9 p90 -120.79 142.36 49.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.461 HD12 ' NE2' ' A' ' 88' ' ' GLN . 2.2 mp -95.37 108.41 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.523 ' N ' ' O ' ' A' ' 36' ' ' ILE . 25.8 t70 -74.34 167.78 20.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.522 ' C ' ' O ' ' A' ' 33' ' ' ASP . 28.1 mtmm -28.02 -71.61 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -123.97 19.14 9.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.6 mp -132.33 154.35 39.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.1 m -122.44 98.55 5.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.165 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 -112.39 177.36 4.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.7 p -126.64 157.79 38.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.511 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 89.9 m-85 -78.38 168.23 20.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -79.23 -179.42 6.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.861 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -70.96 -30.81 67.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -75.23 -45.0 43.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.506 HG23 ' CD1' ' A' ' 40' ' ' PHE . 85.2 m -76.47 -37.62 56.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.428 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 2.3 t-20 -42.01 -45.92 4.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.4 ptp -73.01 -38.81 66.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -50.73 -29.59 11.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.473 HD13 ' CE2' ' A' ' 40' ' ' PHE . 95.9 mt -84.95 -59.17 2.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.961 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.499 ' CG ' ' N ' ' A' ' 50' ' ' VAL . 6.7 pt-20 -48.75 -48.18 41.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.499 ' N ' ' CG ' ' A' ' 49' ' ' GLU . 27.3 m -49.25 -46.82 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.466 ' CB ' ' HB ' ' A' ' 59' ' ' THR . . . -65.34 -36.12 83.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.132 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.591 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 9.0 t90 -72.51 -30.55 64.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.445 ' HE3' ' CE3' ' A' ' 52' ' ' TRP . 6.1 mmpt? -82.41 -34.56 28.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.978 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.51 7.86 4.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.0 mttp 62.53 35.6 14.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -81.18 165.93 21.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -98.77 -31.85 11.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -162.42 144.9 11.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.824 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.466 ' HB ' ' CB ' ' A' ' 51' ' ' ALA . 9.1 t -128.36 132.0 48.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.148 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.9 t -81.18 138.15 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.079 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.8 m -145.94 153.58 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -84.72 105.59 15.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.486 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 56.3 mt -119.19 125.64 74.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.106 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 18.0 m170 62.32 30.55 17.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 70.89 27.91 3.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.486 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 0.4 OUTLIER -146.91 135.48 22.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.93 129.07 39.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.608 ' CE1' ' CB ' ' A' ' 79' ' ' ALA . 3.7 m-85 -129.15 154.99 46.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 37.4 m -107.16 106.91 17.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.1 t -90.59 104.7 15.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 75' ' ' ASN . 1.5 t70 -81.47 116.53 21.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.422 HD11 ' C ' ' A' ' 51' ' ' ALA . 6.6 mt -78.0 -37.13 47.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 t -44.76 -37.85 4.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.1 t -120.72 -17.04 8.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.14 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.451 ' CA ' HG21 ' A' ' 87' ' ' VAL . 2.6 m-20 74.51 54.93 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.405 HG21 ' N ' ' A' ' 77' ' ' ALA . 63.4 m -142.46 138.42 31.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.405 ' N ' HG21 ' A' ' 76' ' ' THR . . . -99.74 145.27 27.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.049 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.401 HG21 ' N ' ' A' ' 79' ' ' ALA . 47.8 m -147.18 145.54 29.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.608 ' CB ' ' CE1' ' A' ' 68' ' ' PHE . . . -136.0 153.1 76.69 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.561 0.696 . . . . 0.0 111.116 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 2.11 3.8 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -86.62 -37.47 18.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.21 32.27 0.8 Allowed Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.458 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -133.67 137.0 45.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.925 0.393 . . . . 0.0 110.857 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 44.8 p -136.79 144.72 43.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.556 ' CE2' ' CE2' ' A' ' 68' ' ' PHE . 0.7 OUTLIER -136.25 175.12 9.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 84.2 m -120.4 123.75 43.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.451 HG21 ' CA ' ' A' ' 75' ' ' ASN . 2.6 m -97.06 146.01 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.461 ' NE2' HD12 ' A' ' 32' ' ' ILE . 11.0 pt20 -133.75 144.1 48.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.53 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 54.3 ttt-85 -107.52 125.98 51.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.08 122.55 30.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 99.3 t -77.97 152.36 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -135.6 108.33 7.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -169.09 129.21 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 45.9 t -154.13 137.34 15.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -98.97 173.66 26.88 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 118.69 5.83 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 39.5 m -157.21 129.99 7.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.6 p -132.69 102.8 5.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.837 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.444 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.826 0.346 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.558 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 55.7 m95 -128.68 121.34 28.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -129.48 150.77 50.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 16.3 p90 -116.5 139.41 50.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.532 HG13 HG23 ' A' ' 37' ' ' THR . 2.2 mp -95.55 106.23 18.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 36' ' ' ILE . 43.9 t0 -73.57 167.58 21.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.506 ' C ' ' O ' ' A' ' 33' ' ' ASP . 19.5 mttm -28.95 -72.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.448 ' H ' HD12 ' A' ' 36' ' ' ILE . 38.5 t30 -122.96 19.17 10.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.543 ' N ' HD12 ' A' ' 36' ' ' ILE . 2.4 mp -132.32 149.03 31.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.532 HG23 HG13 ' A' ' 32' ' ' ILE . 19.7 m -119.54 97.91 5.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -113.84 174.78 5.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.7 p -123.57 160.89 26.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.574 ' CZ ' ' HB3' ' A' ' 31' ' ' TYR . 98.7 m-85 -80.68 162.06 24.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.18 166.95 5.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.03 -21.48 66.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 19.5 ptp -88.02 -38.83 15.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.4 m -76.95 -37.28 55.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.185 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.49 ' OD1' ' N ' ' A' ' 29' ' ' TRP . 27.2 t30 -41.6 -40.16 1.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.736 ' O ' HG22 ' A' ' 50' ' ' VAL . 5.4 ptp -78.18 -42.51 31.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.407 ' N ' ' CG ' ' A' ' 46' ' ' MET . 59.6 mttt -44.39 -27.06 0.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.5 mt -89.73 -53.4 4.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.45 ' HA ' ' CZ2' ' A' ' 29' ' ' TRP . 5.1 pt-20 -51.49 -43.53 62.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.736 HG22 ' O ' ' A' ' 46' ' ' MET . 8.5 m -57.46 -33.58 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.71 -31.35 46.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.593 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 10.5 t90 -75.55 -29.0 59.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -89.49 -32.47 17.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.93 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.14 4.6 5.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.115 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt 64.03 35.14 10.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -79.33 164.55 23.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -93.07 -35.92 12.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.862 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -165.73 148.21 7.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.0 t -128.79 136.98 51.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.0 t -92.02 136.53 24.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.442 HG23 HG13 ' A' ' 63' ' ' ILE . 31.0 m -140.44 151.55 21.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.118 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.7 mp0 -80.63 105.76 12.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.459 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 84.2 mt -118.47 122.76 70.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 63.53 33.86 13.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.83 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 68.88 26.29 5.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.459 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 1.4 pt20 -146.41 130.28 17.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -61.61 131.93 51.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.575 ' CE2' ' CE2' ' A' ' 85' ' ' PHE . 4.0 m-85 -129.35 153.45 47.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 39.9 m -102.7 108.54 19.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.108 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.437 HG22 ' HB2' ' A' ' 77' ' ' ALA . 84.2 t -96.66 114.06 32.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 75' ' ' ASN . 1.5 t70 -91.85 120.41 32.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.455 HD22 ' HB2' ' A' ' 52' ' ' TRP . 6.5 mt -72.35 -42.63 65.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.8 t -42.21 -51.35 4.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.428 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 9.3 t -103.28 -18.27 14.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.121 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 71' ' ' ASP . 1.2 m120 68.79 55.03 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.86 HG23 ' O ' ' A' ' 85' ' ' PHE . 93.2 m -144.4 137.13 26.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.437 ' HB2' HG22 ' A' ' 70' ' ' VAL . . . -92.84 149.84 21.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.051 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.628 HG23 HG22 ' A' ' 84' ' ' THR . 22.0 m -152.52 145.29 24.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.499 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -136.06 154.61 77.62 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.623 0.725 . . . . 0.0 111.077 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 1.21 4.65 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.625 2.217 . . . . 0.0 112.366 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -86.93 -37.1 17.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 124.97 32.66 0.79 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.467 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -132.19 134.78 45.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.894 0.378 . . . . 0.0 110.906 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.628 HG22 HG23 ' A' ' 78' ' ' THR . 51.4 p -134.62 147.13 50.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.86 ' O ' HG23 ' A' ' 76' ' ' THR . 1.5 m-85 -139.03 175.17 9.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 40.4 m -120.49 125.04 46.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.156 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.5 m -98.82 135.01 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.559 ' HG3' HD11 ' A' ' 90' ' ' LEU . 10.8 pt20 -122.88 143.52 49.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.558 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 54.9 ttt-85 -104.57 125.33 50.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.559 HD11 ' HG3' ' A' ' 88' ' ' GLN . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.833 0.349 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.522 ' CE3' ' HB3' ' A' ' 48' ' ' LEU . 31.7 m95 -123.67 128.88 50.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -128.24 151.7 48.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.943 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.577 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 33.8 p90 -119.49 140.75 49.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.59 HG13 HG23 ' A' ' 37' ' ' THR . 2.1 mp -95.72 107.86 20.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.097 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' A' ' 36' ' ' ILE . 9.7 t70 -73.88 167.44 21.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -29.7 -70.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.872 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -123.34 18.41 9.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.519 ' O ' ' N ' ' A' ' 33' ' ' ASP . 3.9 mp -132.24 152.01 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.59 HG23 HG13 ' A' ' 32' ' ' ILE . 9.2 m -120.9 97.94 5.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.138 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -113.61 174.59 5.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.4 p -117.82 163.53 16.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 31' ' ' TYR . 76.7 m-85 -77.3 170.65 16.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.71 178.19 2.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.78 -27.35 61.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 33.1 mtm -93.74 -31.11 14.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.444 HG21 ' HD2' ' A' ' 40' ' ' PHE . 95.3 m -75.46 -36.12 60.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -43.53 -41.64 4.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.617 ' O ' HG22 ' A' ' 50' ' ' VAL . 7.1 ptp -75.8 -36.68 59.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 55.9 mttt -51.0 -20.82 1.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.522 ' HB3' ' CE3' ' A' ' 29' ' ' TRP . 64.5 mt -95.89 -53.95 3.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.447 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 0.7 OUTLIER -54.14 -38.75 65.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.617 HG22 ' O ' ' A' ' 46' ' ' MET . 27.6 m -60.78 -47.36 93.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.524 ' N ' HG23 ' A' ' 50' ' ' VAL . . . -65.1 -35.66 81.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.486 ' HB2' HD22 ' A' ' 72' ' ' LEU . 10.8 t90 -69.77 -38.08 76.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -79.84 -31.46 40.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.11 12.68 2.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.128 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 79.1 mttt 54.49 38.17 29.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -82.46 158.15 23.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.6 tptt -84.6 -37.14 21.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -163.82 152.48 13.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 59' ' ' THR . 13.5 t -131.9 127.02 35.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.1 t -82.08 137.0 21.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.123 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.559 HG23 HG13 ' A' ' 63' ' ' ILE . 29.1 m -142.11 153.92 18.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.165 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -83.49 107.0 15.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.559 HG13 HG23 ' A' ' 61' ' ' VAL . 86.6 mt -119.59 119.83 61.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 64.26 36.97 8.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 67.34 25.16 8.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 1.8 pt20 -146.16 127.43 14.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -61.67 133.4 55.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.499 ' CE2' ' CE2' ' A' ' 85' ' ' PHE . 4.1 m-85 -129.31 150.1 50.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 40.0 m -98.07 105.59 17.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.181 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.513 HG22 ' HB2' ' A' ' 77' ' ' ALA . 57.4 t -93.38 111.28 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.163 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 75' ' ' ASN . 2.8 t0 -90.16 118.21 29.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.486 HD22 ' HB2' ' A' ' 52' ' ' TRP . 6.1 mt -72.7 -43.11 63.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 m -40.31 -43.41 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.449 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 9.3 t -111.46 -19.57 12.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.147 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.449 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.2 m120 71.6 54.98 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.85 HG23 ' O ' ' A' ' 85' ' ' PHE . 96.8 m -145.68 137.18 25.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.513 ' HB2' HG22 ' A' ' 70' ' ' VAL . . . -92.95 148.27 22.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.078 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.563 HG23 HG22 ' A' ' 84' ' ' THR . 23.8 m -151.25 145.64 25.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.153 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.457 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -137.47 155.45 75.44 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.581 0.705 . . . . 0.0 111.086 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.42 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 53.8 Cg_endo -69.8 1.93 4.02 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.67 2.247 . . . . 0.0 112.34 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -87.75 -39.15 15.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 126.14 34.39 0.63 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -133.64 132.17 40.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.363 . . . . 0.0 110.896 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.563 HG22 HG23 ' A' ' 78' ' ' THR . 49.8 p -132.53 144.38 50.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.85 ' O ' HG23 ' A' ' 76' ' ' THR . 1.6 m-85 -135.89 175.08 9.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.3 m -120.07 123.27 42.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.161 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.1 m -97.35 137.72 24.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.074 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.474 ' HG3' HD11 ' A' ' 90' ' ' LEU . 10.6 pt20 -127.03 140.9 51.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.42 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 64.6 ttt-85 -99.97 130.91 46.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.474 HD11 ' HG3' ' A' ' 88' ' ' GLN . 1.1 mp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.843 0.354 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.52 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 59.5 m95 -130.57 115.15 16.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -125.48 152.07 45.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.542 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 25.9 p90 -117.9 143.7 46.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.56 HG13 HG23 ' A' ' 37' ' ' THR . 2.2 mp -98.81 106.64 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.519 ' O ' ' C ' ' A' ' 34' ' ' LYS . 20.5 t70 -74.53 167.47 21.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.833 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.519 ' C ' ' O ' ' A' ' 33' ' ' ASP . 13.8 mmtp -27.93 -73.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -121.9 18.8 10.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.504 ' O ' ' N ' ' A' ' 33' ' ' ASP . 3.2 mp -132.41 147.22 32.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.56 HG23 HG13 ' A' ' 32' ' ' ILE . 18.0 m -117.32 99.9 7.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.122 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -113.51 179.65 3.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.7 p -126.35 162.52 25.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.542 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 96.9 m-85 -82.55 159.74 22.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 43' ' ' MET . 0.5 OUTLIER -75.43 141.78 43.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.01 -25.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.502 ' N ' ' O ' ' A' ' 41' ' ' ASP . 70.0 mtm -74.06 -48.44 29.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.891 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 47' ' ' LYS . 98.3 m -77.17 -41.43 41.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.175 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 44' ' ' THR . 3.4 t-20 -34.36 -44.34 0.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.624 ' O ' HG13 ' A' ' 50' ' ' VAL . 8.0 ptp -74.21 -43.72 56.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 44' ' ' THR . 73.5 mttt -50.29 -24.45 2.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.0 mt -91.2 -53.44 4.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -54.32 -35.67 62.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.624 HG13 ' O ' ' A' ' 46' ' ' MET . 35.0 m -62.62 -43.4 98.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.469 ' N ' HG23 ' A' ' 50' ' ' VAL . . . -67.71 -29.26 68.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.45 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 10.5 t90 -73.96 -36.72 64.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.954 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -83.47 -27.04 29.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.94 17.37 1.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.121 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt 48.91 38.63 12.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -84.23 159.52 20.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -86.61 -34.76 19.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -166.96 152.6 7.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.7 t -130.63 134.03 46.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.6 t -86.7 135.73 24.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.083 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.504 HG23 HG13 ' A' ' 63' ' ' ILE . 32.9 m -141.8 151.29 18.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.077 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -79.65 109.72 14.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.504 HG13 HG23 ' A' ' 61' ' ' VAL . 68.5 mt -122.42 119.91 59.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 66.08 35.32 6.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.833 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.8 t30 66.76 28.03 9.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.473 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.5 pt20 -147.17 132.91 18.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -61.97 130.91 47.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.675 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.6 m-85 -129.46 156.0 44.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 56.8 m -108.11 110.08 21.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.093 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.3 t -95.65 115.45 34.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 75' ' ' ASN . 4.1 t0 -92.6 117.88 30.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.402 HD11 ' HB1' ' A' ' 51' ' ' ALA . 9.9 mt -71.4 -43.4 66.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.8 m -43.93 -53.42 6.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.437 HG22 ' HB3' ' A' ' 71' ' ' ASP . 11.6 t -98.65 -21.94 16.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.121 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 71' ' ' ASP . 1.2 m120 71.15 53.57 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.679 HG23 ' O ' ' A' ' 85' ' ' PHE . 96.7 m -143.24 134.47 25.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.413 ' HB3' ' HD2' ' A' ' 85' ' ' PHE . . . -92.88 144.15 25.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.073 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.738 HG23 HG22 ' A' ' 84' ' ' THR . 10.1 m -146.32 148.32 32.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.675 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -139.89 153.35 69.62 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.595 0.712 . . . . 0.0 111.123 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 3.13 2.96 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.249 . . . . 0.0 112.362 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -87.71 -36.79 17.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 124.69 32.71 0.8 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.505 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -133.6 139.61 46.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.887 0.375 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.738 HG22 HG23 ' A' ' 78' ' ' THR . 37.1 p -141.08 141.06 34.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.679 ' O ' HG23 ' A' ' 76' ' ' THR . 0.7 OUTLIER -132.76 175.12 9.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 40.7 m -118.83 124.45 47.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.129 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.404 HG23 ' HB3' ' A' ' 75' ' ' ASN . 3.0 m -97.19 136.73 26.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.169 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -127.64 136.93 52.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.52 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 52.7 ttt-85 -97.98 131.29 44.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.834 0.35 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.543 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 49.1 m95 -120.81 119.83 33.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -123.37 149.25 45.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.564 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 19.5 p90 -118.5 145.27 45.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.563 HG13 HG23 ' A' ' 37' ' ' THR . 2.2 mp -99.19 107.96 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.523 ' N ' ' O ' ' A' ' 36' ' ' ILE . 17.1 t70 -73.88 167.78 20.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.513 ' C ' ' O ' ' A' ' 33' ' ' ASP . 31.2 mtpt -29.07 -72.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -121.97 18.13 10.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.0 mp -132.26 153.96 39.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.563 HG23 HG13 ' A' ' 32' ' ' ILE . 13.5 m -121.08 97.95 5.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 31' ' ' TYR . 19.2 mt-30 -111.04 178.04 4.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 32.0 p -129.04 159.48 35.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 98.2 m-85 -80.07 161.5 25.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -68.89 177.36 2.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -68.82 -34.78 76.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.1 ptp -74.87 -42.85 57.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.2 m -74.07 -35.39 64.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.083 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.447 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 19.1 t-20 -43.86 -46.04 7.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.515 ' O ' HG13 ' A' ' 50' ' ' VAL . 9.1 ptp -75.15 -36.67 61.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -50.63 -23.23 2.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.478 HD23 ' CG2' ' A' ' 59' ' ' THR . 88.9 mt -95.44 -51.82 4.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 50' ' ' VAL . 1.6 pp20? -53.6 -36.67 62.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.529 HG23 ' N ' ' A' ' 51' ' ' ALA . 26.7 m -58.85 -49.05 84.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.149 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.529 ' N ' HG23 ' A' ' 50' ' ' VAL . . . -62.7 -32.84 74.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.077 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.427 ' HA ' HD13 ' A' ' 72' ' ' LEU . 12.2 t90 -69.59 -37.51 76.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -79.22 -30.5 43.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.92 17.54 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.8 mttt 47.53 37.61 6.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -78.53 162.81 26.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -87.04 -36.87 17.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.6 p30 -164.41 152.13 12.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.478 ' CG2' HD23 ' A' ' 48' ' ' LEU . 9.8 t -128.23 128.26 44.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.7 t -84.33 133.88 28.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.559 HG23 HG13 ' A' ' 63' ' ' ILE . 33.4 m -140.13 152.35 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -81.73 105.57 12.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.559 HG13 HG23 ' A' ' 61' ' ' VAL . 84.3 mt -118.11 118.03 56.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.492 ' ND1' HG22 ' A' ' 63' ' ' ILE . 0.2 OUTLIER 67.08 40.02 3.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.858 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 63.82 25.86 14.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.485 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 6.2 pt20 -147.28 129.77 15.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.89 132.64 53.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.632 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.5 m-85 -128.91 152.64 48.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.2 m -101.47 106.87 18.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.509 HG22 ' HB2' ' A' ' 77' ' ' ALA . 65.1 t -94.5 112.82 27.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 75' ' ' ASN . 8.0 t0 -89.31 120.84 31.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 52' ' ' TRP . 11.4 mt -73.47 -39.23 65.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.922 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.6 t -45.19 -54.07 7.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.839 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.429 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 8.9 t -100.67 -19.56 16.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.429 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.4 m120 71.31 53.73 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.886 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.876 HG23 ' O ' ' A' ' 85' ' ' PHE . 98.6 m -142.36 137.09 30.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.091 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.509 ' HB2' HG22 ' A' ' 70' ' ' VAL . . . -92.86 148.43 22.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.626 HG23 HG22 ' A' ' 84' ' ' THR . 19.9 m -150.21 145.41 26.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.632 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -136.23 153.36 76.51 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.6 0.714 . . . . 0.0 111.089 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 3.85 2.54 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.678 2.252 . . . . 0.0 112.342 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -89.49 -37.84 14.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.444 ' C ' ' OE1' ' A' ' 83' ' ' GLN . . . 125.87 34.89 0.62 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.488 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.444 ' OE1' ' C ' ' A' ' 82' ' ' GLY . 5.4 mp0 -135.06 133.53 39.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.881 0.372 . . . . 0.0 110.927 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.626 HG22 HG23 ' A' ' 78' ' ' THR . 42.2 p -133.66 144.18 49.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.876 ' O ' HG23 ' A' ' 76' ' ' THR . 1.1 m-85 -136.26 175.1 9.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.7 m -119.24 124.3 46.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.42 HG22 ' C ' ' A' ' 75' ' ' ASN . 2.9 m -97.23 138.39 22.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.439 ' HG3' HD11 ' A' ' 90' ' ' LEU . 7.9 pt20 -128.15 146.1 50.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.973 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.543 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 48.7 ttt-85 -107.07 131.97 53.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.517 ' N ' HD12 ' A' ' 90' ' ' LEU . 1.2 mp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.42 ' O ' HD12 ' A' ' 90' ' ' LEU . 3.5 tp10 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.851 0.357 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.509 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 51.8 m95 -115.15 119.53 36.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.953 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.404 ' HG2' ' CB ' ' A' ' 39' ' ' CYS . 46.2 mt-30 -125.32 151.72 45.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.495 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 24.7 p90 -119.12 138.8 52.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.545 HG13 HG23 ' A' ' 37' ' ' THR . 2.0 mp -92.35 108.59 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.131 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' A' ' 36' ' ' ILE . 23.8 t0 -73.9 167.53 21.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.499 ' C ' ' O ' ' A' ' 33' ' ' ASP . 17.5 mmmt -30.13 -70.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -122.77 17.54 10.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.6 mp -132.31 154.06 39.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.545 HG23 HG13 ' A' ' 32' ' ' ILE . 12.5 m -121.11 97.93 5.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.194 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -111.62 177.41 4.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.404 ' CB ' ' HG2' ' A' ' 30' ' ' GLN . 30.8 p -127.42 154.79 44.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.575 ' HE1' HD11 ' A' ' 63' ' ' ILE . 97.6 m-85 -72.04 166.93 21.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -74.06 178.68 4.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.8 pttt -69.7 -32.45 71.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 47.9 mtp -77.76 -43.89 29.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.1 m -73.33 -37.33 66.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -42.39 -44.98 4.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.697 ' O ' HG22 ' A' ' 50' ' ' VAL . 7.1 ptp -76.69 -35.65 57.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -53.1 -20.11 3.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.586 HD22 HG11 ' A' ' 70' ' ' VAL . 86.3 mt -96.02 -56.89 2.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.453 ' CG ' ' N ' ' A' ' 50' ' ' VAL . 4.2 pt-20 -49.59 -45.34 47.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.697 HG22 ' O ' ' A' ' 46' ' ' MET . 22.8 m -53.58 -39.42 37.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.725 ' HB1' HD11 ' A' ' 72' ' ' LEU . . . -70.63 -33.65 71.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.081 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.51 ' HB2' HD22 ' A' ' 72' ' ' LEU . 10.5 t90 -73.39 -35.97 65.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.424 ' NZ ' ' HB3' ' A' ' 53' ' ' LYS . 0.1 OUTLIER -76.81 -38.28 54.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.83 4.2 5.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt 61.64 36.43 16.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -76.75 162.36 27.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -88.01 -34.39 18.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -168.52 144.95 3.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.487 ' CG2' HD23 ' A' ' 48' ' ' LEU . 12.0 t -123.17 130.52 52.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.9 t -83.93 138.36 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.122 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.537 HG23 HG13 ' A' ' 63' ' ' ILE . 27.7 m -144.16 148.12 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.164 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -79.32 106.68 11.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.575 HD11 ' HE1' ' A' ' 40' ' ' PHE . 66.7 mt -118.86 131.53 71.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.424 ' CB ' HE21 ' A' ' 66' ' ' GLN . 10.6 m170 56.13 29.78 15.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 73.53 25.15 2.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.46 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.3 pt20 -145.3 132.88 20.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.98 130.74 47.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.671 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 4.2 m-85 -129.04 151.11 50.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 34.2 m -100.82 107.13 18.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.174 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.586 HG11 HD22 ' A' ' 48' ' ' LEU . 96.5 t -91.79 106.28 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 75' ' ' ASN . 6.7 t0 -83.75 115.97 22.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.725 HD11 ' HB1' ' A' ' 51' ' ' ALA . 6.8 mt -73.18 -42.45 62.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.8 m -45.71 -46.82 15.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.457 HG22 ' HB3' ' A' ' 71' ' ' ASP . 11.0 t -105.59 -18.01 14.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.186 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.9 OUTLIER 68.18 52.94 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 85' ' ' PHE . 77.3 m -142.61 133.27 25.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.95 147.89 22.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.083 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.772 HG23 HG22 ' A' ' 84' ' ' THR . 10.7 m -150.91 148.56 28.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.671 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -139.1 153.25 71.28 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.586 0.708 . . . . 0.0 111.078 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 2.45 3.52 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.728 2.285 . . . . 0.0 112.33 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 57.3 mm-40 -86.73 -36.38 18.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.942 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.428 ' C ' ' OE1' ' A' ' 83' ' ' GLN . . . 124.32 37.1 0.58 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.428 ' OE1' ' C ' ' A' ' 82' ' ' GLY . 1.1 mp0 -138.84 141.06 38.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.843 0.354 . . . . 0.0 110.931 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.772 HG22 HG23 ' A' ' 78' ' ' THR . 22.2 p -141.14 144.27 34.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.168 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.605 ' O ' HG23 ' A' ' 76' ' ' THR . 1.0 OUTLIER -135.98 175.01 9.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 46.6 m -119.49 123.97 45.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.2 m -97.33 139.12 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -126.4 142.66 51.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.959 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.509 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 68.0 ttt-85 -110.23 122.33 47.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.42 HD12 ' O ' ' A' ' 28' ' ' GLU . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.801 0.334 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.533 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 45.7 m95 -107.53 121.32 44.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -126.51 149.17 49.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 20.6 p90 -115.77 141.7 47.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.59 HG13 HG23 ' A' ' 37' ' ' THR . 2.2 mp -95.23 107.59 19.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' A' ' 36' ' ' ILE . 23.9 t70 -73.55 167.85 20.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.51 ' C ' ' O ' ' A' ' 33' ' ' ASP . 43.4 mttp -29.02 -72.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -122.46 18.07 10.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.5 mp -132.21 154.17 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.59 HG23 HG13 ' A' ' 32' ' ' ILE . 12.7 m -122.65 98.79 6.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -111.64 176.19 5.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.6 p -121.62 160.31 24.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 31' ' ' TYR . 87.1 m-85 -80.55 166.54 21.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -76.03 179.84 5.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.4 ptpp? -70.94 -34.39 71.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 9.3 mmt -73.54 -45.0 56.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.6 m -75.49 -36.7 60.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -44.0 -40.46 4.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.728 ' O ' HG22 ' A' ' 50' ' ' VAL . 6.5 ptp -81.44 -41.83 21.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.409 ' C ' HG22 ' A' ' 50' ' ' VAL . 62.2 mttm -46.22 -21.88 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.672 HD23 HG21 ' A' ' 59' ' ' THR . 62.3 mt -93.52 -68.83 0.78 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.401 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 6.9 pt-20 -40.5 -36.9 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 46' ' ' MET . 16.0 m -59.4 -44.04 91.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.155 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.539 ' HB1' HD11 ' A' ' 72' ' ' LEU . . . -71.86 -36.22 70.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.074 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.551 ' HB2' HD22 ' A' ' 72' ' ' LEU . 12.0 t90 -67.45 -34.37 77.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -83.67 -32.89 25.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.98 12.28 2.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.8 mtmt 55.1 39.75 31.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.413 ' HB2' ' HB1' ' A' ' 51' ' ' ALA . 13.1 mmmt -78.48 174.4 11.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -100.64 -35.77 9.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -170.61 149.37 3.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.672 HG21 HD23 ' A' ' 48' ' ' LEU . 10.7 t -126.65 138.31 53.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.5 t -89.94 136.95 22.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.8 m -144.02 141.2 24.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -76.61 104.58 7.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.482 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 91.1 mt -115.34 123.77 71.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 64.49 37.05 8.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.0 m120 66.38 27.15 10.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.0 pt20 -147.19 129.42 15.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.86 133.12 55.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.636 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.6 m-85 -128.47 165.22 21.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 29.0 m -115.11 107.61 15.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.134 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 89.9 t -93.08 116.6 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 75' ' ' ASN . 2.2 t70 -94.7 117.65 30.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.551 HD22 ' HB2' ' A' ' 52' ' ' TRP . 7.9 mt -71.45 -40.59 70.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 t -45.95 -54.63 7.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.402 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 9.9 t -97.63 -24.1 15.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.156 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 71' ' ' ASP . 1.7 m120 74.81 48.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.653 HG23 ' O ' ' A' ' 85' ' ' PHE . 99.2 m -137.99 138.05 38.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -96.93 144.19 27.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.666 HG23 HG22 ' A' ' 84' ' ' THR . 6.5 m -146.08 149.46 34.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.636 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -140.48 153.25 68.2 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.581 0.705 . . . . 0.0 111.125 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 3.26 2.88 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.727 2.285 . . . . 0.0 112.321 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -88.08 -36.67 16.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.44 ' C ' ' OE1' ' A' ' 83' ' ' GLN . . . 123.65 35.8 0.67 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.562 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.44 ' OE1' ' C ' ' A' ' 82' ' ' GLY . 2.9 mp0 -137.01 140.71 42.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.893 0.378 . . . . 0.0 110.909 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.666 HG22 HG23 ' A' ' 78' ' ' THR . 19.5 p -139.86 146.0 38.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.653 ' O ' HG23 ' A' ' 76' ' ' THR . 0.9 OUTLIER -136.76 174.83 10.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.9 m -118.85 124.12 46.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.421 ' CG2' ' C ' ' A' ' 75' ' ' ASN . 2.1 m -97.72 137.9 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.134 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.692 ' HG3' HD11 ' A' ' 90' ' ' LEU . 10.0 pt20 -132.03 142.02 49.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.533 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 53.3 ttt-85 -99.69 132.31 45.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.692 HD11 ' HG3' ' A' ' 88' ' ' GLN . 1.7 mp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.833 0.349 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.504 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 43.8 m95 -121.62 118.84 30.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.452 ' HG2' ' CB ' ' A' ' 39' ' ' CYS . 45.0 mt-30 -123.33 155.21 37.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.544 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 13.8 p90 -123.93 144.2 49.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.533 HG13 HG23 ' A' ' 37' ' ' THR . 2.2 mp -98.28 109.04 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.147 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.518 ' O ' ' C ' ' A' ' 34' ' ' LYS . 18.4 t70 -74.76 167.83 21.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.518 ' C ' ' O ' ' A' ' 33' ' ' ASP . 35.0 mttt -28.51 -72.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -123.15 18.84 9.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.0 mp -132.26 154.1 39.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.181 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.533 HG23 HG13 ' A' ' 32' ' ' ILE . 19.2 m -123.43 103.97 8.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.152 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -120.27 -179.75 4.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.452 ' CB ' ' HG2' ' A' ' 30' ' ' GLN . 31.7 p -127.93 159.3 35.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.544 ' CZ ' ' HB3' ' A' ' 31' ' ' TYR . 99.6 m-85 -79.37 166.34 22.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -75.31 -178.03 3.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.8 pptp? -73.24 -26.29 61.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.473 ' HG3' ' N ' ' A' ' 44' ' ' THR . 16.2 ptm -79.75 -38.87 32.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.473 ' N ' ' HG3' ' A' ' 43' ' ' MET . 96.8 m -82.63 -38.69 23.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -38.89 -41.51 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.524 ' O ' HG22 ' A' ' 50' ' ' VAL . 8.8 ptp -77.55 -41.83 37.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -45.57 -22.71 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.442 HD11 ' CE2' ' A' ' 40' ' ' PHE . 94.2 mt -96.08 -56.81 2.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.438 ' C ' ' OE1' ' A' ' 49' ' ' GLU . 0.7 OUTLIER -50.06 -38.56 38.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.562 HG23 ' N ' ' A' ' 51' ' ' ALA . 34.2 m -62.33 -48.38 88.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.562 ' N ' HG23 ' A' ' 50' ' ' VAL . . . -64.44 -32.18 73.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.1 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.47 ' HB2' HD22 ' A' ' 72' ' ' LEU . 14.1 t90 -74.6 -39.57 62.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.42 ' NZ ' ' HB3' ' A' ' 53' ' ' LYS . 0.2 OUTLIER -71.21 -36.98 72.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.87 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.09 10.1 3.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt 53.86 39.78 30.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.47 ' O ' HD12 ' A' ' 72' ' ' LEU . 41.3 mmtt -76.81 162.78 27.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.876 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -83.38 -38.17 22.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.0 p30 -166.84 152.44 7.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.468 ' HB ' ' CB ' ' A' ' 51' ' ' ALA . 14.0 t -132.12 131.58 42.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.4 t -86.45 134.09 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.553 HG23 HG13 ' A' ' 63' ' ' ILE . 32.8 m -138.53 151.98 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -81.37 106.39 13.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.553 HG13 HG23 ' A' ' 61' ' ' VAL . 81.6 mt -118.27 116.69 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.467 ' ND1' HG22 ' A' ' 63' ' ' ILE . 0.2 OUTLIER 66.41 40.52 3.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.5 t30 64.4 25.67 13.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.485 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.7 pt20 -146.97 127.19 13.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.73 133.3 55.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.576 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.8 m-85 -128.87 151.32 49.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 57.7 m -98.75 107.25 19.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.107 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.582 HG22 ' HB2' ' A' ' 77' ' ' ALA . 75.5 t -96.12 115.83 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 75' ' ' ASN . 3.5 t0 -93.44 121.86 35.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.47 HD12 ' O ' ' A' ' 56' ' ' LYS . 9.7 mt -73.22 -41.97 63.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.8 t -42.53 -53.02 4.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.824 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.448 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 10.2 t -102.01 -19.84 15.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.138 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.448 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.2 m120 70.79 52.66 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.724 HG23 ' O ' ' A' ' 85' ' ' PHE . 99.7 m -141.22 135.07 30.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.182 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.582 ' HB2' HG22 ' A' ' 70' ' ' VAL . . . -92.81 148.64 21.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.058 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.672 HG23 HG22 ' A' ' 84' ' ' THR . 21.1 m -151.38 145.37 25.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.576 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -135.4 153.71 78.06 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.56 0.695 . . . . 0.0 111.138 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 3.31 2.84 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.692 2.261 . . . . 0.0 112.385 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -88.17 -39.66 14.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 127.99 33.06 0.61 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.494 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.4 mp0 -134.38 136.02 43.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.911 0.386 . . . . 0.0 110.898 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.672 HG22 HG23 ' A' ' 78' ' ' THR . 33.1 p -135.72 144.99 46.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.201 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.724 ' O ' HG23 ' A' ' 76' ' ' THR . 0.8 OUTLIER -136.3 175.59 9.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.2 m -121.52 123.55 42.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.172 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.9 m -96.98 134.73 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.148 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.958 ' HG3' HD11 ' A' ' 90' ' ' LEU . 10.0 pt20 -126.15 142.94 51.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.504 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 43.5 ttt-85 -99.07 124.18 43.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.958 HD11 ' HG3' ' A' ' 88' ' ' GLN . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.885 0.374 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.51 ' CE3' ' HB3' ' A' ' 48' ' ' LEU . 44.5 m95 -133.15 121.32 22.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.945 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.423 ' HG2' ' CB ' ' A' ' 39' ' ' CYS . 40.7 mt-30 -124.59 154.0 41.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.568 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 14.7 p90 -122.71 147.08 46.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.525 HG13 HG23 ' A' ' 37' ' ' THR . 2.2 mp -100.07 108.42 22.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' A' ' 36' ' ' ILE . 13.9 t70 -73.89 167.8 20.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.509 ' C ' ' O ' ' A' ' 33' ' ' ASP . 33.8 mtpt -29.09 -70.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -123.94 18.7 9.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.522 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.0 mp -132.31 154.23 39.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.525 HG23 HG13 ' A' ' 32' ' ' ILE . 14.2 m -121.89 99.75 6.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.118 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -112.35 175.63 5.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.423 ' CB ' ' HG2' ' A' ' 30' ' ' GLN . 30.1 p -122.36 162.56 21.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 76.1 m-85 -85.69 161.83 19.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -71.58 174.22 6.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.401 ' O ' ' OD1' ' A' ' 45' ' ' ASN . 35.5 pttt -70.68 -24.87 62.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 30.6 mtp -82.74 -28.86 30.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 47' ' ' LYS . 62.2 m -88.46 -44.64 10.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.181 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 42' ' ' LYS . 0.2 OUTLIER -38.06 -41.31 0.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.575 ' O ' HG13 ' A' ' 50' ' ' VAL . 6.6 ptp -73.35 -37.97 65.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 44' ' ' THR . 49.4 mtmt -55.96 -27.28 51.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.51 ' HB3' ' CE3' ' A' ' 29' ' ' TRP . 92.8 mt -87.46 -49.03 7.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.465 ' CG ' ' N ' ' A' ' 50' ' ' VAL . 4.7 pt-20 -58.56 -45.67 88.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.575 HG13 ' O ' ' A' ' 46' ' ' MET . 29.3 m -51.93 -44.47 38.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.489 ' HB1' HD11 ' A' ' 72' ' ' LEU . . . -69.34 -34.17 74.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.598 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 9.4 t90 -74.83 -29.6 61.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.965 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.469 ' HE3' ' CE3' ' A' ' 52' ' ' TRP . 5.6 mmpt? -82.61 -34.34 27.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.837 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.0 12.99 2.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.114 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp 53.0 39.41 29.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -77.84 170.49 16.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -93.15 -36.28 12.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.2 p30 -167.18 153.42 8.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.9 t -131.65 136.18 47.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.7 t -90.07 135.03 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.143 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.6 HG23 HG13 ' A' ' 63' ' ' ILE . 30.0 m -139.83 154.88 24.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.3 mp0 -84.95 103.86 14.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.95 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.6 HG13 HG23 ' A' ' 61' ' ' VAL . 75.3 mt -116.31 114.6 46.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.432 ' ND1' HG22 ' A' ' 63' ' ' ILE . 0.2 OUTLIER 68.27 41.01 1.97 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 62.79 27.07 15.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.478 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 1.5 pt20 -147.16 127.37 13.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -61.85 132.94 54.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.508 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.9 m-85 -129.29 150.86 50.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 58.9 m -99.62 106.95 18.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.487 HG22 ' HB2' ' A' ' 77' ' ' ALA . 66.9 t -93.35 115.78 32.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 75' ' ' ASN . 7.0 t0 -92.81 119.39 32.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.489 HD11 ' HB1' ' A' ' 51' ' ' ALA . 8.7 mt -72.9 -40.73 65.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 t -43.92 -55.33 4.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.422 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 8.9 t -98.92 -18.78 17.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.121 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.422 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.3 m120 70.35 54.8 0.3 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.805 HG23 ' O ' ' A' ' 85' ' ' PHE . 97.8 m -144.76 136.29 25.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.487 ' HB2' HG22 ' A' ' 70' ' ' VAL . . . -92.89 146.28 23.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.689 HG23 HG22 ' A' ' 84' ' ' THR . 14.9 m -147.97 148.98 31.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.096 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.508 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -139.79 153.89 70.37 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.584 0.707 . . . . 0.0 111.072 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 3.31 2.84 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.665 2.244 . . . . 0.0 112.348 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -88.95 -38.2 14.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.954 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.7 34.88 0.62 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.52 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 11.6 mp0 -134.88 135.59 41.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.863 0.363 . . . . 0.0 110.903 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.689 HG22 HG23 ' A' ' 78' ' ' THR . 43.4 p -137.4 144.84 42.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.805 ' O ' HG23 ' A' ' 76' ' ' THR . 0.8 OUTLIER -137.63 174.01 11.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 28.7 m -115.86 123.84 49.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.179 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.6 m -97.42 135.2 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.586 ' HG3' HD11 ' A' ' 90' ' ' LEU . 9.0 pt20 -130.39 133.6 46.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.543 ' C ' HD13 ' A' ' 90' ' ' LEU . 50.0 ttt-85 -96.03 126.0 40.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.792 ' N ' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.807 0.337 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.483 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 43.1 m95 -128.38 119.35 24.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.423 ' HG2' ' CB ' ' A' ' 39' ' ' CYS . 48.3 mt-30 -124.63 148.02 48.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 29.6 p90 -116.64 142.54 46.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.547 HG13 HG23 ' A' ' 37' ' ' THR . 2.1 mp -96.32 107.25 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.189 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' A' ' 36' ' ' ILE . 6.2 t70 -73.62 167.5 21.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.511 ' C ' ' O ' ' A' ' 33' ' ' ASP . 11.3 mmmt -29.18 -72.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -122.19 17.92 10.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' A' ' 33' ' ' ASP . 3.2 mp -132.27 151.94 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.547 HG23 HG13 ' A' ' 32' ' ' ILE . 17.3 m -120.13 97.81 5.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -114.76 179.1 4.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.423 ' CB ' ' HG2' ' A' ' 30' ' ' GLN . 27.3 p -124.7 161.06 27.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 31' ' ' TYR . 98.2 m-85 -75.79 179.13 5.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.77 169.5 14.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -66.17 -15.95 63.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 62.4 mtm -92.26 -38.81 11.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 47' ' ' LYS . 99.2 m -78.45 -43.01 28.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -37.95 -39.63 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.741 ' O ' HG22 ' A' ' 50' ' ' VAL . 7.1 ptp -79.66 -37.7 35.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 44' ' ' THR . 45.3 mttm -54.51 -20.28 7.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.527 HD23 ' CG2' ' A' ' 59' ' ' THR . 69.3 mt -93.76 -59.61 1.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.441 ' HA ' ' CZ2' ' A' ' 29' ' ' TRP . 6.6 pt-20 -47.76 -42.8 26.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.741 HG22 ' O ' ' A' ' 46' ' ' MET . 20.6 m -58.38 -37.62 64.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.48 -30.99 57.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.095 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.539 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 10.0 t90 -75.38 -32.5 60.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -87.04 -30.72 20.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.69 7.93 4.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt 59.81 41.26 18.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.4 mmtm -85.81 165.42 16.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.19 -37.94 14.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.0 p30 -167.8 154.24 7.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.527 ' CG2' HD23 ' A' ' 48' ' ' LEU . 3.6 t -131.21 132.87 44.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 68' ' ' PHE . 53.9 t -88.79 133.92 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.104 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.577 HG23 HG13 ' A' ' 63' ' ' ILE . 33.5 m -137.21 154.49 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -82.13 104.99 12.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.577 HG13 HG23 ' A' ' 61' ' ' VAL . 85.5 mt -117.99 119.72 62.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.106 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 64.36 38.6 7.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.1 m120 64.37 27.2 13.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.485 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.3 pt20 -147.18 129.08 15.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.953 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.81 132.92 54.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.59 ' CZ ' ' CB ' ' A' ' 79' ' ' ALA . 4.1 m-85 -130.03 151.19 50.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 32.6 m -99.85 108.65 20.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.451 HG22 ' HB2' ' A' ' 77' ' ' ALA . 81.8 t -95.5 112.31 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 75' ' ' ASN . 2.9 t70 -90.26 119.38 30.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.499 HD22 ' HB2' ' A' ' 52' ' ' TRP . 6.3 mt -72.43 -41.03 66.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.9 t -42.33 -51.2 4.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.447 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 8.9 t -103.77 -20.27 14.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.164 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.447 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.4 m120 72.47 52.92 0.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.795 HG23 ' O ' ' A' ' 85' ' ' PHE . 95.8 m -142.42 135.69 28.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.451 ' HB2' HG22 ' A' ' 70' ' ' VAL . . . -93.76 146.71 23.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.115 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.474 HG23 HG22 ' A' ' 84' ' ' THR . 45.4 m -145.02 157.3 44.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.59 ' CB ' ' CZ ' ' A' ' 68' ' ' PHE . . . -147.51 152.49 42.02 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.583 0.706 . . . . 0.0 111.056 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 3.33 2.84 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.685 2.256 . . . . 0.0 112.323 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -89.48 -39.2 13.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 127.01 34.39 0.59 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.521 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 12.2 mp0 -133.98 134.84 42.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.908 0.385 . . . . 0.0 110.904 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.474 HG22 HG23 ' A' ' 78' ' ' THR . 44.7 p -135.99 139.05 42.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.795 ' O ' HG23 ' A' ' 76' ' ' THR . 1.0 OUTLIER -130.36 174.17 10.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.6 m -119.25 124.21 46.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.151 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.7 m -97.69 137.39 25.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.09 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.559 ' HG3' HD11 ' A' ' 90' ' ' LEU . 10.8 pt20 -126.61 144.03 51.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.483 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 55.3 ttt-85 -104.02 129.21 51.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.559 HD11 ' HG3' ' A' ' 88' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.938 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.821 0.343 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.533 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 45.3 m95 -130.89 118.28 20.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -122.59 152.45 40.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.552 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 25.6 p90 -119.89 138.66 53.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.961 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.574 HG13 HG23 ' A' ' 37' ' ' THR . 2.2 mp -93.45 106.54 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.522 ' OD2' HD13 ' A' ' 36' ' ' ILE . 28.5 t70 -73.67 167.62 21.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.517 ' C ' ' O ' ' A' ' 33' ' ' ASP . 21.7 mtpt -28.41 -73.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -122.42 18.76 10.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.522 HD13 ' OD2' ' A' ' 33' ' ' ASP . 3.0 mp -132.26 148.3 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.574 HG23 HG13 ' A' ' 32' ' ' ILE . 13.1 m -118.06 98.08 6.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.111 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -110.94 177.09 4.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.5 p -124.3 159.54 30.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.552 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 64.7 m-85 -81.84 162.0 22.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -69.91 177.51 3.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -71.75 -28.49 63.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.41 ' HG3' ' N ' ' A' ' 44' ' ' THR . 19.2 ptp -79.24 -44.29 22.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.41 ' N ' ' HG3' ' A' ' 43' ' ' MET . 91.2 m -73.4 -37.4 65.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -41.58 -46.77 3.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.558 ' O ' HG13 ' A' ' 50' ' ' VAL . 9.1 ptp -74.49 -38.03 62.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -50.06 -22.99 1.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.7 mt -96.05 -49.77 5.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -55.03 -36.5 65.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.919 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 46' ' ' MET . 35.9 m -60.38 -43.42 93.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.114 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.468 ' N ' HG23 ' A' ' 50' ' ' VAL . . . -68.07 -32.99 73.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.595 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 8.4 t90 -73.64 -30.44 62.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -85.17 -31.24 23.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.91 10.55 3.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt 57.77 37.06 27.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -81.39 167.62 19.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -95.25 -34.66 12.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -164.55 150.01 10.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.412 ' HB ' ' CB ' ' A' ' 51' ' ' ALA . 4.9 t -127.31 140.66 52.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.16 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.0 t -93.96 134.1 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.413 HG23 HG13 ' A' ' 63' ' ' ILE . 29.8 m -140.52 151.54 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.165 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -81.29 107.36 14.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.469 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 85.2 mt -119.48 124.65 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 15.9 m170 62.45 31.09 17.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.6 m120 70.99 27.68 3.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.469 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.4 pt20 -146.89 133.79 20.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.1 130.49 45.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.669 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.8 m-85 -129.35 152.58 48.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.6 m -105.3 109.56 21.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.571 HG22 ' HB2' ' A' ' 77' ' ' ALA . 53.3 t -95.29 111.4 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 75' ' ' ASN . 11.6 t70 -88.36 116.32 26.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.5 mt -70.33 -41.59 73.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.8 m -43.55 -51.86 6.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.44 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 9.7 t -102.74 -16.22 16.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.167 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.7 OUTLIER 67.47 54.1 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.751 HG23 ' O ' ' A' ' 85' ' ' PHE . 89.9 m -143.24 135.11 26.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.571 ' HB2' HG22 ' A' ' 70' ' ' VAL . . . -92.94 147.59 22.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.665 HG23 HG22 ' A' ' 84' ' ' THR . 10.6 m -149.05 147.31 28.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.669 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -138.52 153.21 72.36 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.565 0.697 . . . . 0.0 111.107 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 2.75 3.24 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.37 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 -87.4 -35.8 18.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.446 ' C ' ' OE1' ' A' ' 83' ' ' GLN . . . 123.65 35.74 0.67 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.479 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.446 ' OE1' ' C ' ' A' ' 82' ' ' GLY . 7.6 mp0 -136.33 141.87 43.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 0.0 110.904 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.665 HG22 HG23 ' A' ' 78' ' ' THR . 25.3 p -141.4 144.51 34.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.751 ' O ' HG23 ' A' ' 76' ' ' THR . 1.0 OUTLIER -136.69 175.18 9.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.9 m -119.49 124.48 46.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.148 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.5 m -97.09 137.79 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.694 ' HG3' HD11 ' A' ' 90' ' ' LEU . 12.7 pt20 -128.88 139.53 52.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.533 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 51.6 ttt-85 -99.32 129.7 45.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.694 HD11 ' HG3' ' A' ' 88' ' ' GLN . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.827 0.346 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.436 ' CZ2' ' HA ' ' A' ' 49' ' ' GLU . 50.1 m95 -129.62 112.48 13.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.932 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.418 ' HG2' ' CB ' ' A' ' 39' ' ' CYS . 49.4 mt-30 -120.83 151.96 38.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.569 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 22.8 p90 -117.66 140.48 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.608 HG13 HG23 ' A' ' 37' ' ' THR . 2.3 mp -95.74 106.17 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.101 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.516 ' O ' ' C ' ' A' ' 34' ' ' LYS . 28.5 t0 -73.8 167.84 20.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.516 ' C ' ' O ' ' A' ' 33' ' ' ASP . 19.7 mtpp -27.91 -74.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -121.27 18.04 11.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.508 ' O ' ' N ' ' A' ' 33' ' ' ASP . 3.5 mp -132.25 147.16 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.608 HG23 HG13 ' A' ' 32' ' ' ILE . 15.7 m -116.62 100.97 8.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -114.94 173.44 6.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.418 ' CB ' ' HG2' ' A' ' 30' ' ' GLN . 30.8 p -121.6 158.03 29.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 83.3 m-85 -77.82 178.21 7.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.441 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 10.6 t70 -82.11 179.51 7.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.852 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.0 pttt -71.2 -34.2 70.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.439 ' HA ' ' CE ' ' A' ' 46' ' ' MET . 9.5 mmt -78.29 -42.02 32.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 92.0 m -76.55 -39.8 51.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 41' ' ' ASP . 0.9 OUTLIER -45.45 -41.08 9.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.529 ' O ' HG22 ' A' ' 50' ' ' VAL . 5.5 ptp -79.03 -42.13 27.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.407 ' N ' ' CG ' ' A' ' 46' ' ' MET . 30.9 mttm -45.28 -24.6 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.416 HD22 HG11 ' A' ' 70' ' ' VAL . 33.4 mt -87.69 -50.7 6.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 50' ' ' VAL . 4.9 pt-20 -55.14 -45.82 75.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.529 HG22 ' O ' ' A' ' 46' ' ' MET . 13.2 m -53.67 -33.4 22.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.463 ' HB1' HD11 ' A' ' 72' ' ' LEU . . . -79.68 -31.31 41.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.603 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 9.8 t90 -72.79 -28.85 62.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -90.07 -29.89 18.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.56 12.53 2.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.039 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt 54.86 40.9 32.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -79.63 170.09 17.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.5 tptp -101.41 -32.44 10.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.839 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -174.3 140.93 0.69 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.7 t -120.39 140.11 51.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.7 t -92.5 137.32 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 30.0 m -143.46 153.11 16.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -82.2 108.38 15.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.482 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 67.3 mt -120.59 110.53 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.445 ' ND1' ' CG2' ' A' ' 63' ' ' ILE . 0.2 OUTLIER 72.0 40.4 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 179.876 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 62.93 28.74 16.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 3.3 pt20 -147.19 132.54 18.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -63.93 130.56 44.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.67 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.8 m-85 -129.32 153.69 47.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.3 m -106.34 109.96 22.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.416 HG11 HD22 ' A' ' 48' ' ' LEU . 84.1 t -94.09 109.51 22.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -86.58 119.38 26.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.463 HD11 ' HB1' ' A' ' 51' ' ' ALA . 10.3 mt -73.22 -40.91 64.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.9 t -43.39 -54.85 4.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.447 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 12.9 t -99.66 -19.39 16.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.187 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.447 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.2 m120 71.5 50.74 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.818 HG23 ' O ' ' A' ' 85' ' ' PHE . 97.8 m -140.26 135.8 32.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.404 ' HB3' ' HD2' ' A' ' 85' ' ' PHE . . . -92.82 146.19 23.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.762 HG23 HG22 ' A' ' 84' ' ' THR . 8.3 m -147.41 147.63 30.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.67 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -138.67 153.36 72.22 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.636 0.732 . . . . 0.0 111.074 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 3.26 2.88 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.648 2.232 . . . . 0.0 112.375 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.1 mm-40 -87.84 -37.23 16.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.02 36.1 0.6 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.525 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -136.92 139.44 41.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.914 0.388 . . . . 0.0 110.929 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.762 HG22 HG23 ' A' ' 78' ' ' THR . 30.5 p -140.27 141.0 35.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.818 ' O ' HG23 ' A' ' 76' ' ' THR . 0.7 OUTLIER -133.39 174.21 10.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 91.6 m -117.81 123.74 46.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.41 HG22 ' C ' ' A' ' 75' ' ' ASN . 3.2 m -97.03 137.58 24.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.161 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -125.99 139.31 53.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.417 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 68.0 ttt-85 -106.27 126.23 51.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.457 ' O ' ' CD1' ' A' ' 90' ' ' LEU . 9.7 tp10 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.842 0.353 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.454 ' NE1' ' HB3' ' A' ' 49' ' ' GLU . 33.2 m95 -97.84 124.44 42.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -125.01 155.9 38.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 12.7 p90 -122.58 140.63 52.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.506 HG13 HG23 ' A' ' 37' ' ' THR . 1.9 mp -92.98 108.85 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.146 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' A' ' 36' ' ' ILE . 20.8 t70 -73.8 167.62 21.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 33' ' ' ASP . 4.9 mmmm -30.83 -70.67 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -122.49 16.84 10.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.54 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.9 mp -132.28 154.1 39.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.506 HG23 HG13 ' A' ' 32' ' ' ILE . 19.6 m -120.82 98.89 6.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.187 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -109.61 177.38 4.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.5 m -121.38 162.72 19.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.589 ' CD2' ' CD1' ' A' ' 48' ' ' LEU . 46.5 m-85 -80.4 174.19 11.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -83.25 179.28 7.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 43' ' ' MET . 28.5 pttt -69.85 -34.99 74.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.458 ' HG3' ' N ' ' A' ' 44' ' ' THR . 20.4 ptp -79.09 -40.21 31.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.458 ' N ' ' HG3' ' A' ' 43' ' ' MET . 24.6 m -74.11 -35.08 64.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.18 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -46.52 -45.39 18.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.582 ' O ' HG22 ' A' ' 50' ' ' VAL . 10.6 ptp -77.02 -39.07 51.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.0 mttm -49.29 -26.06 2.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.589 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 19.4 mt -91.53 -57.99 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.955 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.454 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 0.3 OUTLIER -49.44 -37.69 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.604 HG23 ' N ' ' A' ' 51' ' ' ALA . 33.1 m -62.82 -51.11 76.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.604 ' N ' HG23 ' A' ' 50' ' ' VAL . . . -60.89 -32.27 71.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.054 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.547 ' CE3' ' NH1' ' A' ' 89' ' ' ARG . 11.2 t90 -71.47 -36.39 71.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -80.79 -33.19 35.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.8 4.21 6.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.074 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.6 mttt 62.54 41.4 9.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -80.61 173.84 12.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.6 tppt? -104.27 -29.89 10.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -172.34 138.16 0.92 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.568 HG21 HD23 ' A' ' 48' ' ' LEU . 9.1 t -116.02 133.16 56.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.5 t -87.88 135.0 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.186 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.559 HG23 HG13 ' A' ' 63' ' ' ILE . 30.1 m -143.17 149.56 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -79.67 102.3 8.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.559 HG13 HG23 ' A' ' 61' ' ' VAL . 89.0 mt -115.07 126.51 72.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.1 m80 62.4 34.33 15.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.7 m120 66.79 27.82 9.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.484 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 4.7 pt20 -147.11 134.59 20.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -62.17 130.36 45.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.691 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.5 m-85 -129.18 164.93 22.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.8 m -115.85 109.51 17.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.539 HG11 HD22 ' A' ' 48' ' ' LEU . 56.1 t -90.83 105.0 15.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.133 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 75' ' ' ASN . 1.9 t70 -81.89 119.59 24.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 52' ' ' TRP . 15.0 mt -80.05 -39.4 29.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 m -44.28 -32.9 1.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.8 t -127.11 -13.46 5.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 71' ' ' ASP . 2.9 m-20 69.47 54.87 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.708 HG23 ' O ' ' A' ' 85' ' ' PHE . 98.7 m -141.91 135.57 29.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.158 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -95.03 149.35 21.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.095 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.716 HG23 HG22 ' A' ' 84' ' ' THR . 8.5 m -151.07 148.33 28.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.691 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -139.37 152.93 70.31 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 0.0 111.083 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 2.05 3.87 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.679 2.252 . . . . 0.0 112.363 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 64.9 mm-40 -86.22 -35.7 19.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.943 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 123.47 33.03 0.84 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -133.82 136.26 44.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.918 0.389 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.716 HG22 HG23 ' A' ' 78' ' ' THR . 32.1 p -134.66 142.49 46.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.708 ' O ' HG23 ' A' ' 76' ' ' THR . 0.8 OUTLIER -135.06 175.4 9.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.828 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 92.1 m -124.33 125.83 44.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.161 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.556 HG12 ' HE2' ' A' ' 40' ' ' PHE . 2.7 m -99.53 140.9 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -132.63 135.41 45.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.547 ' NH1' ' CE3' ' A' ' 52' ' ' TRP . 34.9 ttt180 -89.09 130.98 35.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.465 ' N ' HD12 ' A' ' 90' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.835 0.35 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.52 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 37.8 m95 -118.24 126.64 52.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -127.73 155.58 43.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.564 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 34.6 p90 -122.04 138.15 54.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.989 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.489 HD12 ' OE1' ' A' ' 88' ' ' GLN . 2.1 mp -90.89 106.79 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' A' ' 36' ' ' ILE . 19.7 t70 -73.48 167.83 20.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.515 ' C ' ' O ' ' A' ' 33' ' ' ASP . 4.4 mtpm? -28.66 -73.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.403 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 32.7 t30 -121.65 17.09 11.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.522 ' O ' ' N ' ' A' ' 33' ' ' ASP . 3.1 mp -132.18 148.29 32.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.472 HG23 HG13 ' A' ' 32' ' ' ILE . 26.1 m -116.61 99.64 7.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.165 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -111.69 172.77 6.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.5 p -117.51 167.37 11.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 55.2 m-85 -90.24 168.64 11.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -81.36 172.98 12.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.29 -19.22 63.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 17.8 mtm -85.7 -29.99 23.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 47' ' ' LYS . 17.9 m -89.12 -48.25 7.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.171 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.444 ' ND2' ' C ' ' A' ' 45' ' ' ASN . 0.1 OUTLIER -35.0 -36.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.716 ' O ' HG22 ' A' ' 50' ' ' VAL . 6.9 ptp -76.8 -45.36 29.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.833 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 44' ' ' THR . 42.4 mtmt -49.91 -23.05 1.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.588 ' HA ' HG21 ' A' ' 59' ' ' THR . 19.4 mt -92.35 -65.24 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.401 ' CG ' ' N ' ' A' ' 50' ' ' VAL . 6.1 pt-20 -43.45 -42.01 4.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.716 HG22 ' O ' ' A' ' 46' ' ' MET . 22.0 m -55.61 -39.35 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.562 ' CB ' HD11 ' A' ' 72' ' ' LEU . . . -74.97 -31.84 61.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.067 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.551 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 9.8 t90 -74.34 -31.6 62.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.1 mmmt -89.38 -26.08 21.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.47 13.93 5.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm 53.76 39.02 29.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.7 mmtm -85.0 164.1 18.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.841 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -88.47 -35.34 17.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.6 p30 -170.49 154.1 4.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.588 HG21 ' HA ' ' A' ' 48' ' ' LEU . 3.9 t -128.43 133.99 48.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.7 t -85.79 135.27 25.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.176 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 18.4 m -141.62 147.84 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.2 mp0 -78.43 108.39 11.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.475 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 71.5 mt -121.38 124.65 72.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 18.1 m170 62.55 34.48 15.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.7 m120 67.16 28.03 8.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.475 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.4 pt20 -147.09 133.34 19.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -62.03 131.4 49.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.647 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.7 m-85 -129.48 156.97 43.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.4 m -109.22 108.49 19.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.442 HG11 HD22 ' A' ' 48' ' ' LEU . 80.8 t -92.31 112.2 25.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -90.19 123.99 34.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.562 HD11 ' CB ' ' A' ' 51' ' ' ALA . 7.5 mt -80.56 -31.17 36.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.9 t -46.1 -42.21 13.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.9 t -121.1 -11.88 8.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.175 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.456 ' HB3' HG23 ' A' ' 87' ' ' VAL . 2.5 m-20 70.77 54.97 0.26 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.827 HG23 ' O ' ' A' ' 85' ' ' PHE . 93.5 m -141.88 136.44 30.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.144 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -95.17 148.58 22.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.091 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.807 HG23 HG22 ' A' ' 84' ' ' THR . 11.3 m -148.43 148.8 30.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.647 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -139.31 152.87 70.31 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.541 0.686 . . . . 0.0 111.111 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 2.36 3.58 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.356 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -86.98 -36.1 18.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.413 ' C ' ' OE1' ' A' ' 83' ' ' GLN . . . 123.73 34.23 0.76 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.513 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.413 ' OE1' ' C ' ' A' ' 82' ' ' GLY . 11.4 mp0 -136.56 135.26 38.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.917 0.389 . . . . 0.0 110.872 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.807 HG22 HG23 ' A' ' 78' ' ' THR . 31.3 p -136.37 142.55 43.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.827 ' O ' HG23 ' A' ' 76' ' ' THR . 0.7 OUTLIER -133.38 175.44 9.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.3 m -120.9 125.35 47.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.475 HG12 ' HE2' ' A' ' 40' ' ' PHE . 1.8 m -96.87 139.15 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.159 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.489 ' OE1' HD12 ' A' ' 32' ' ' ILE . 17.5 pm0 -125.49 138.55 53.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.52 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 54.1 ttt-85 -98.36 126.41 43.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.486 ' N ' HD12 ' A' ' 90' ' ' LEU . 1.9 mp . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.527 ' O ' HD12 ' A' ' 90' ' ' LEU . 3.2 tp10 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.852 0.358 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.536 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 42.7 m95 -106.7 123.23 47.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -128.53 150.53 50.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 32.1 p90 -116.5 144.3 44.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.597 HG13 HG23 ' A' ' 37' ' ' THR . 2.3 mp -99.64 105.53 17.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.148 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 36' ' ' ILE . 18.9 t70 -73.44 167.77 20.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.51 ' C ' ' O ' ' A' ' 33' ' ' ASP . 12.2 mmmt -28.72 -73.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.407 ' H ' HD12 ' A' ' 36' ' ' ILE . 8.6 t-20 -121.87 18.52 11.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.527 ' O ' ' N ' ' A' ' 33' ' ' ASP . 2.2 mp -132.14 146.22 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.138 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.597 HG23 HG13 ' A' ' 32' ' ' ILE . 17.8 m -117.48 97.75 6.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -110.94 179.15 4.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.3 p -122.3 164.91 17.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 31' ' ' TYR . 81.2 m-85 -84.82 162.38 19.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -67.81 179.16 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -73.25 -35.84 66.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.8 mtp -75.54 -38.81 59.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 90.0 m -75.77 -39.35 57.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.448 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 4.2 t-20 -39.35 -48.44 1.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.821 ' O ' HG22 ' A' ' 50' ' ' VAL . 7.6 ptp -73.3 -39.69 65.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.5 mttm -48.32 -22.56 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.5 HD22 HG11 ' A' ' 70' ' ' VAL . 62.5 mt -92.74 -57.13 2.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -50.22 -41.09 49.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.821 HG22 ' O ' ' A' ' 46' ' ' MET . 10.8 m -58.2 -35.15 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.672 ' HB1' HD11 ' A' ' 72' ' ' LEU . . . -77.46 -30.76 53.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.051 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.533 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 10.2 t90 -76.5 -32.34 58.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt -85.68 -31.39 22.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.75 14.97 1.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.1 mtmm 51.47 38.47 22.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp -81.14 163.28 23.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.62 -35.46 18.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.5 p30 -172.43 153.44 2.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.2 t -128.68 136.8 51.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.135 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.0 t -87.63 139.5 17.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.578 HG23 HG13 ' A' ' 63' ' ' ILE . 33.1 m -144.6 153.97 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -84.42 103.95 14.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.578 HG13 HG23 ' A' ' 61' ' ' VAL . 78.6 mt -117.22 123.25 71.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 63.5 37.43 10.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 64.6 27.67 13.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.474 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.7 pt20 -147.11 132.54 18.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.01 131.51 49.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.679 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.6 m-85 -129.34 156.26 44.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 48.1 m -107.08 109.02 20.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.079 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.5 HG11 HD22 ' A' ' 48' ' ' LEU . 69.4 t -92.77 113.7 28.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.086 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -92.68 120.29 32.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.81 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.672 HD11 ' HB1' ' A' ' 51' ' ' ALA . 6.9 mt -74.31 -41.41 61.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.4 t -44.14 -55.53 4.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.817 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.45 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 9.0 t -97.55 -20.88 17.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.156 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.45 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.3 m120 71.67 49.8 0.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.782 HG23 ' O ' ' A' ' 85' ' ' PHE . 97.6 m -140.12 136.17 33.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.407 ' HB3' ' HD2' ' A' ' 85' ' ' PHE . . . -93.02 145.44 24.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.703 HG23 HG22 ' A' ' 84' ' ' THR . 9.0 m -146.58 149.7 34.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.679 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -141.41 153.31 65.71 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.604 0.716 . . . . 0.0 111.078 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 3.12 2.95 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.723 2.282 . . . . 0.0 112.329 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 -88.03 -36.21 17.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 123.7 33.54 0.8 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -134.02 139.75 46.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.92 0.391 . . . . 0.0 110.867 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.703 HG22 HG23 ' A' ' 78' ' ' THR . 31.4 p -140.31 143.07 35.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.782 ' O ' HG23 ' A' ' 76' ' ' THR . 0.8 OUTLIER -135.06 175.16 9.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.2 m -118.55 124.25 47.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.095 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.421 HG22 ' C ' ' A' ' 75' ' ' ASN . 3.0 m -97.08 136.16 28.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.464 ' HG3' HD11 ' A' ' 90' ' ' LEU . 13.8 pt20 -127.21 137.08 52.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.536 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 64.0 ttt-85 -100.22 128.79 46.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.527 HD12 ' O ' ' A' ' 28' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.836 0.351 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.478 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 41.3 m95 -111.91 127.06 55.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -127.25 149.52 49.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.514 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 22.3 p90 -118.76 140.28 50.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.504 HG13 HG23 ' A' ' 37' ' ' THR . 2.2 mp -94.04 108.49 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.144 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.518 ' O ' ' C ' ' A' ' 34' ' ' LYS . 30.9 t70 -73.34 167.71 20.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.518 ' C ' ' O ' ' A' ' 33' ' ' ASP . 48.1 mtmt -28.32 -71.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -123.91 18.6 9.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.5 mp -132.21 154.51 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.504 HG23 HG13 ' A' ' 32' ' ' ILE . 14.2 m -121.3 103.94 9.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -118.93 173.77 6.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.5 p -124.9 155.64 39.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.514 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 97.8 m-85 -74.88 175.23 8.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.401 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 59.0 m-20 -81.17 178.13 8.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -29.78 67.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.0 mmt -78.38 -50.16 12.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 78.0 m -71.27 -38.36 71.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.401 ' CB ' ' O ' ' A' ' 41' ' ' ASP . 1.1 t30 -40.97 -43.05 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.5 ptp -77.61 -38.82 47.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -48.28 -21.14 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.534 HD22 HG11 ' A' ' 70' ' ' VAL . 96.4 mt -92.27 -48.87 6.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 50' ' ' VAL . 6.8 pt-20 -56.18 -39.33 72.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.451 HG23 ' N ' ' A' ' 51' ' ' ALA . 30.4 m -56.62 -42.34 76.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.603 ' HB1' HD11 ' A' ' 72' ' ' LEU . . . -68.25 -33.03 73.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.117 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.431 ' C ' ' CE3' ' A' ' 52' ' ' TRP . 11.2 t90 -75.26 -39.2 60.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.5 -38.4 71.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.914 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.29 13.67 2.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.8 mtpp 50.26 38.21 16.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.5 mmtm -73.63 168.27 19.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -90.08 -38.15 13.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -168.29 147.38 4.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.521 ' HB ' ' HB2' ' A' ' 51' ' ' ALA . 5.6 t -124.92 131.68 53.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 32.5 t -86.21 140.05 16.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.159 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.56 HG23 HG13 ' A' ' 63' ' ' ILE . 35.4 m -146.69 149.74 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -77.14 103.86 7.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.56 HG13 HG23 ' A' ' 61' ' ' VAL . 57.4 mt -117.33 124.79 73.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.411 ' O ' ' HB2' ' A' ' 65' ' ' ASN . 7.2 m170 62.87 35.77 13.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 64' ' ' HIS . 7.4 m120 66.1 26.78 10.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 63' ' ' ILE . 2.3 pt20 -147.33 135.67 21.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -62.31 130.45 45.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.66 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.7 m-85 -129.41 156.35 44.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 49.6 m -107.61 110.42 22.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.534 HG11 HD22 ' A' ' 48' ' ' LEU . 86.6 t -93.54 111.69 25.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.089 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -91.47 122.05 33.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.603 HD11 ' HB1' ' A' ' 51' ' ' ALA . 8.7 mt -77.77 -36.47 50.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.3 t -40.36 -44.69 2.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.9 t -118.57 -15.52 9.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.185 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 72' ' ' LEU . 5.3 m-20 73.62 54.03 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.781 HG23 ' O ' ' A' ' 85' ' ' PHE . 86.1 m -140.06 135.81 33.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.71 146.83 23.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.88 HG23 HG22 ' A' ' 84' ' ' THR . 7.4 m -147.88 148.34 30.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.186 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.66 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -138.35 153.2 72.67 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.544 0.688 . . . . 0.0 111.134 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 3.14 2.94 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.692 2.261 . . . . 0.0 112.336 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -87.71 -37.48 16.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.78 34.9 0.62 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.467 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.1 mp0 -136.4 137.74 40.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.899 0.38 . . . . 0.0 110.906 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.88 HG22 HG23 ' A' ' 78' ' ' THR . 32.7 p -138.84 139.79 38.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.781 ' O ' HG23 ' A' ' 76' ' ' THR . 0.7 OUTLIER -131.41 174.31 10.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.7 m -119.64 124.27 45.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.101 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.401 HG23 ' HB3' ' A' ' 75' ' ' ASN . 0.8 OUTLIER -97.15 143.66 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 179.848 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.794 ' HG3' HD11 ' A' ' 90' ' ' LEU . 11.4 pt20 -132.82 141.27 48.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.478 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 47.7 ttt-85 -100.32 127.91 46.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.794 HD11 ' HG3' ' A' ' 88' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.833 0.349 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.51 ' CE2' ' HG3' ' A' ' 89' ' ' ARG . 56.7 m95 -110.6 121.45 45.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -124.83 148.71 48.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 19.5 p90 -117.97 145.67 44.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.492 HG13 HG23 ' A' ' 37' ' ' THR . 2.3 mp -99.68 105.95 18.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.139 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.53 ' O ' ' C ' ' A' ' 34' ' ' LYS . 15.5 t70 -73.77 167.66 20.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.53 ' C ' ' O ' ' A' ' 33' ' ' ASP . 21.3 mtpp -27.43 -74.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -122.27 19.01 10.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' A' ' 33' ' ' ASP . 3.2 mp -132.32 146.83 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.492 HG23 HG13 ' A' ' 32' ' ' ILE . 23.6 m -116.76 97.75 6.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -112.75 179.61 3.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.4 p -123.34 155.75 36.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 31' ' ' TYR . 90.7 m-85 -71.44 174.7 6.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.854 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -81.69 178.88 8.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -69.42 -35.51 75.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 22.8 mtp -75.49 -47.38 27.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.8 m -69.46 -37.99 77.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -41.07 -46.16 2.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.443 ' O ' HG13 ' A' ' 50' ' ' VAL . 8.0 ptp -78.02 -37.67 46.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -49.32 -28.41 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.408 HD11 ' CE2' ' A' ' 40' ' ' PHE . 95.7 mt -86.14 -53.41 5.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.448 ' CG ' ' N ' ' A' ' 50' ' ' VAL . 5.0 pt-20 -51.79 -45.07 63.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.513 HG23 ' N ' ' A' ' 51' ' ' ALA . 27.0 m -52.29 -46.65 45.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.513 ' N ' HG23 ' A' ' 50' ' ' VAL . . . -65.36 -30.13 70.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.055 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.423 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 10.3 t90 -73.0 -38.42 66.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -79.22 -30.91 43.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.97 16.37 1.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.071 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm 47.23 39.99 9.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.0 mmtm -81.77 160.73 23.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -84.86 -35.75 22.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.1 p30 -167.4 156.03 9.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.0 t -133.07 134.96 45.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.0 t -84.87 134.96 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.091 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.445 HG23 HG13 ' A' ' 63' ' ' ILE . 35.3 m -141.73 141.12 30.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -76.4 104.42 6.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.489 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 97.6 mt -114.69 119.54 61.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 66.73 41.16 3.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 63.93 25.84 14.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.489 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 1.6 pt20 -147.12 126.85 13.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -61.66 134.56 56.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.522 ' CE2' ' CE2' ' A' ' 85' ' ' PHE . 3.5 m-85 -128.79 165.2 21.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 47.3 m -112.16 104.94 13.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.121 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.433 HG22 ' HB2' ' A' ' 77' ' ' ALA . 85.6 t -91.95 118.14 36.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 75' ' ' ASN . 3.1 t70 -97.22 122.27 40.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.2 mt -75.54 -41.22 55.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.6 t -42.58 -49.14 5.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.435 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 8.9 t -106.45 -20.43 13.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.118 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.435 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.5 m120 72.53 52.75 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.78 HG23 ' O ' ' A' ' 85' ' ' PHE . 98.5 m -142.54 137.08 29.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.433 ' HB2' HG22 ' A' ' 70' ' ' VAL . . . -95.13 146.47 24.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.478 HG22 ' N ' ' A' ' 79' ' ' ALA . 97.6 m -146.59 156.62 43.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.183 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.478 ' N ' HG22 ' A' ' 78' ' ' THR . . . -147.72 154.05 43.72 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.525 0.679 . . . . 0.0 111.179 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 1.18 4.65 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.66 2.24 . . . . 0.0 112.373 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -86.52 -39.08 16.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.403 ' C ' ' OE1' ' A' ' 83' ' ' GLN . . . 125.91 34.94 0.61 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.403 ' OE1' ' C ' ' A' ' 82' ' ' GLY . 2.7 mp0 -133.92 136.54 44.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.895 0.379 . . . . 0.0 110.868 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 43.7 p -137.35 141.25 41.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.78 ' O ' HG23 ' A' ' 76' ' ' THR . 0.9 OUTLIER -134.21 173.84 11.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.8 m -117.15 124.78 49.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.174 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.426 HG22 ' C ' ' A' ' 75' ' ' ASN . 2.9 m -97.22 136.86 26.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.136 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.594 ' HG3' HD11 ' A' ' 90' ' ' LEU . 12.2 pt20 -131.33 139.16 49.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.51 ' HG3' ' CE2' ' A' ' 29' ' ' TRP . 36.3 ttt180 -101.86 131.04 48.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.594 HD11 ' HG3' ' A' ' 88' ' ' GLN . 1.1 mp . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.531 ' O ' HD12 ' A' ' 90' ' ' LEU . 4.9 tp10 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.843 0.354 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.474 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 48.3 m95 -94.96 121.86 37.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -126.35 149.59 49.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.568 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 26.4 p90 -118.25 141.44 48.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.6 HG13 HG23 ' A' ' 37' ' ' THR . 2.1 mp -96.49 109.43 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.129 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' A' ' 36' ' ' ILE . 18.2 t70 -76.18 167.53 21.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.809 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.503 ' C ' ' O ' ' A' ' 33' ' ' ASP . 33.2 mmtt -29.72 -73.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -120.25 17.77 12.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.514 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.7 mp -132.33 154.17 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.6 HG23 HG13 ' A' ' 32' ' ' ILE . 16.9 m -123.13 98.13 5.74 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -110.72 177.78 4.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.5 p -129.2 154.03 47.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 31' ' ' TYR . 96.1 m-85 -71.76 172.59 9.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.87 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.68 -179.45 7.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -71.03 -35.5 72.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 42.8 mmm -72.58 -45.72 57.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.846 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.5 m -74.69 -38.86 62.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.149 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -40.24 -40.2 1.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.514 ' O ' HG13 ' A' ' 50' ' ' VAL . 7.2 ptp -81.54 -39.63 24.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.402 ' C ' HG22 ' A' ' 50' ' ' VAL . 51.4 mttm -47.89 -28.83 2.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.486 HD23 HG21 ' A' ' 59' ' ' THR . 81.7 mt -83.75 -59.56 2.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.507 ' CG ' ' N ' ' A' ' 50' ' ' VAL . 4.8 pt-20 -48.5 -48.98 37.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.514 HG13 ' O ' ' A' ' 46' ' ' MET . 34.7 m -46.84 -44.72 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.489 ' N ' HG23 ' A' ' 50' ' ' VAL . . . -68.85 -34.54 75.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.059 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.599 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 8.9 t90 -70.64 -29.23 65.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -87.09 -29.86 21.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.4 11.93 5.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm 56.3 38.44 29.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -75.62 175.37 8.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.94 -31.48 8.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -171.47 143.14 1.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.486 HG21 HD23 ' A' ' 48' ' ' LEU . 9.9 t -121.99 130.76 53.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.7 t -85.02 138.34 19.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.5 m -145.06 155.99 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.093 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -85.36 110.74 19.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.474 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 96.7 mt -123.02 123.86 68.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 64.37 27.17 13.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 74.76 28.36 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.474 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.7 pt20 -147.12 134.77 21.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -62.2 129.04 38.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.648 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.9 m-85 -129.35 153.69 47.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 44.8 m -104.85 108.1 19.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.409 HG11 HD22 ' A' ' 48' ' ' LEU . 98.4 t -91.42 109.34 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -86.95 121.15 29.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.42 HD11 ' HB1' ' A' ' 51' ' ' ALA . 7.7 mt -74.99 -42.45 57.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.6 t -45.58 -54.2 7.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.4 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 8.2 t -96.79 -18.79 19.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.414 ' C ' HG22 ' A' ' 87' ' ' VAL . 1.3 m120 68.3 46.72 1.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.825 HG23 ' O ' ' A' ' 85' ' ' PHE . 97.5 m -138.89 136.11 35.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.85 147.19 23.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.785 HG23 HG22 ' A' ' 84' ' ' THR . 8.3 m -148.68 146.98 28.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.648 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -137.95 153.1 73.32 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.546 0.689 . . . . 0.0 111.122 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 2.8 3.19 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.247 . . . . 0.0 112.343 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 57.3 mm-40 -87.39 -35.92 18.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 124.38 33.75 0.75 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -134.98 141.43 46.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.351 . . . . 0.0 110.93 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.785 HG22 HG23 ' A' ' 78' ' ' THR . 30.2 p -142.3 141.73 32.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.173 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.825 ' O ' HG23 ' A' ' 76' ' ' THR . 1.0 OUTLIER -132.41 175.11 9.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.849 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.9 m -120.39 124.24 45.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.172 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.414 HG22 ' C ' ' A' ' 75' ' ' ASN . 2.7 m -97.14 136.07 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.461 ' HG3' HD11 ' A' ' 90' ' ' LEU . 9.0 pt20 -126.12 135.74 52.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.474 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 44.4 ttt-85 -95.9 128.95 43.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 28' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.537 ' O ' HD12 ' A' ' 90' ' ' LEU . 10.8 tt0 . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.801 0.334 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.511 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 47.6 m95 -97.67 121.99 40.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -124.86 153.16 43.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.95 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 20.5 p90 -121.67 139.63 53.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.903 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.525 HG13 HG23 ' A' ' 37' ' ' THR . 2.1 mp -94.06 108.03 20.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.124 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 36' ' ' ILE . 17.9 t70 -73.85 167.43 21.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.824 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.513 ' C ' ' O ' ' A' ' 33' ' ' ASP . 4.4 mmmm -28.95 -70.18 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -124.91 19.05 8.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.524 ' N ' HD12 ' A' ' 36' ' ' ILE . 3.5 mp -132.47 150.82 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.525 HG23 HG13 ' A' ' 32' ' ' ILE . 15.5 m -120.41 102.95 8.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -115.53 179.07 4.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.958 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.2 m -117.99 161.29 20.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.567 ' CD2' ' CD1' ' A' ' 48' ' ' LEU . 38.3 m-85 -79.78 158.3 26.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 43' ' ' MET . 1.0 OUTLIER -75.43 138.83 41.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 41' ' ' ASP . 18.2 ptpt -36.59 -29.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.506 ' N ' ' O ' ' A' ' 41' ' ' ASP . 87.5 mmm -74.12 -48.53 28.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 41' ' ' ASP . 88.6 m -72.54 -38.5 67.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 44' ' ' THR . 2.6 t-20 -36.8 -39.19 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.81 ' O ' HG13 ' A' ' 50' ' ' VAL . 4.6 ptp -85.46 -39.17 17.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 44' ' ' THR . 14.6 mtpt -54.51 -20.59 8.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.567 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 74.8 mt -95.65 -50.18 5.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.453 ' C ' ' OE1' ' A' ' 49' ' ' GLU . 0.8 OUTLIER -59.79 -34.63 73.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.81 HG13 ' O ' ' A' ' 46' ' ' MET . 30.0 m -56.95 -42.03 78.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.456 ' HB1' ' HB2' ' A' ' 56' ' ' LYS . . . -74.48 -30.57 61.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.543 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 10.1 t90 -71.09 -32.09 68.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -85.29 -30.49 23.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -83.13 15.72 2.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.088 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.4 mtpt 51.69 37.65 20.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.456 ' HB2' ' HB1' ' A' ' 51' ' ' ALA . 11.2 mmmt -76.8 166.82 22.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.25 -33.34 12.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -165.18 148.84 8.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.567 HG21 ' HA ' ' A' ' 48' ' ' LEU . 13.0 t -131.35 130.45 42.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 31.1 t -85.81 140.61 15.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.454 HG23 HG13 ' A' ' 63' ' ' ILE . 27.3 m -144.14 155.12 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 -83.69 106.78 15.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.469 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 85.7 mt -120.13 121.03 64.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 64.04 36.59 9.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 66.59 25.87 9.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.469 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 1.2 pt20 -146.17 128.7 16.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.0 p-10 -61.81 132.28 52.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.525 ' CE2' ' CE2' ' A' ' 85' ' ' PHE . 4.1 m-85 -129.22 152.13 49.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.7 m -100.66 107.83 19.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.511 HG22 ' HB2' ' A' ' 77' ' ' ALA . 69.1 t -94.59 114.58 31.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.117 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 75' ' ' ASN . 1.6 t70 -92.02 123.43 35.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.7 mt -74.92 -43.25 55.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 t -41.54 -52.33 3.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.459 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 11.0 t -102.42 -18.97 15.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.108 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.459 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.1 m120 69.82 51.81 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.858 HG23 ' O ' ' A' ' 85' ' ' PHE . 99.2 m -141.08 137.2 32.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.161 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.511 ' HB2' HG22 ' A' ' 70' ' ' VAL . . . -93.24 149.76 20.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.632 HG23 HG22 ' A' ' 84' ' ' THR . 16.4 m -151.61 148.83 28.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.203 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.501 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -139.01 153.5 71.72 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.558 0.695 . . . . 0.0 111.11 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 3.51 2.74 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.659 2.24 . . . . 0.0 112.339 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -89.53 -36.76 15.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.34 35.29 0.62 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -133.4 139.23 46.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.361 . . . . 0.0 110.904 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.632 HG22 HG23 ' A' ' 78' ' ' THR . 43.4 p -139.04 144.52 38.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.138 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.858 ' O ' HG23 ' A' ' 76' ' ' THR . 1.4 m-85 -138.77 175.08 9.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 33.0 m -119.71 124.37 46.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.178 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.501 HG12 ' HE2' ' A' ' 40' ' ' PHE . 3.9 m -97.56 133.32 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.186 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.464 ' HG3' HD11 ' A' ' 90' ' ' LEU . 9.5 pt20 -126.89 140.74 52.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.511 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 35.7 ttt-85 -97.32 132.91 42.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.537 HD12 ' O ' ' A' ' 28' ' ' GLU . 1.3 mp . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.857 0.36 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.494 ' CE2' ' HG3' ' A' ' 89' ' ' ARG . 41.0 m95 -115.13 119.77 37.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.451 ' HG2' ' CB ' ' A' ' 39' ' ' CYS . 42.7 mt-30 -123.78 154.38 39.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.567 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 22.7 p90 -119.58 140.32 50.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.554 HG13 HG23 ' A' ' 37' ' ' THR . 2.4 mp -95.4 107.74 20.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.16 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 36' ' ' ILE . 6.8 t70 -73.74 167.62 21.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.505 ' C ' ' O ' ' A' ' 33' ' ' ASP . 7.9 mtmp? -28.63 -72.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -122.29 18.42 10.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 33' ' ' ASP . 3.3 mp -132.17 150.61 33.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.185 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.554 HG23 HG13 ' A' ' 32' ' ' ILE . 21.2 m -120.83 106.03 11.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -121.05 171.21 8.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.451 ' CB ' ' HG2' ' A' ' 30' ' ' GLN . 29.0 p -113.23 160.2 18.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.567 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 45.1 m-85 -78.38 173.79 11.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -71.58 164.2 26.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.3 ptpt -61.96 -25.7 67.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 91.1 mmm -89.5 -43.37 10.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 45' ' ' ASN . 91.9 m -66.76 -40.69 88.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.426 ' CG ' ' N ' ' A' ' 46' ' ' MET . 1.1 p-10 -37.78 -47.81 1.04 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.476 ' O ' HG22 ' A' ' 50' ' ' VAL . 7.2 ptp -75.12 -37.46 61.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.1 mttt -50.58 -18.67 0.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.544 HD22 HG11 ' A' ' 70' ' ' VAL . 75.9 mt -96.07 -39.21 9.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 50' ' ' VAL . 6.9 pt-20 -66.7 -40.09 88.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.938 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' ' 46' ' ' MET . 11.6 m -56.69 -34.97 43.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.506 ' CB ' HD11 ' A' ' 72' ' ' LEU . . . -76.71 -30.73 56.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.545 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 10.9 t90 -74.34 -30.31 61.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -88.16 -29.44 20.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.3 17.09 1.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt 51.21 39.05 22.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.9 mmtp -83.53 164.24 19.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.949 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.56 -34.52 12.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -165.2 151.86 10.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.6 t -130.11 131.42 45.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.151 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.2 t -84.43 137.33 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.441 HG23 HG13 ' A' ' 63' ' ' ILE . 30.4 m -144.24 149.33 17.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -79.28 104.54 9.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.488 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 67.4 mt -117.21 121.98 68.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.403 ' O ' ' HB2' ' A' ' 65' ' ' ASN . 13.7 m170 63.15 38.96 10.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 64' ' ' HIS . 3.7 m-20 64.35 26.75 13.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.488 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.5 pt20 -147.08 131.35 17.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.954 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -61.73 131.23 49.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.684 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.7 m-85 -129.29 152.21 49.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 56.0 m -102.83 108.77 20.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.544 HG11 HD22 ' A' ' 48' ' ' LEU . 74.4 t -92.7 110.76 23.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 75' ' ' ASN . 7.1 t0 -89.39 116.92 27.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.506 HD11 ' CB ' ' A' ' 51' ' ' ALA . 10.3 mt -72.4 -43.45 63.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 m -42.58 -52.48 4.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.816 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.4 t -100.75 -16.24 17.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.127 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.47 ' C ' HG22 ' A' ' 87' ' ' VAL . 1.4 m120 67.06 52.6 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.842 HG23 ' O ' ' A' ' 85' ' ' PHE . 97.7 m -143.87 135.55 26.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.79 150.28 20.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.791 HG23 HG22 ' A' ' 84' ' ' THR . 7.3 m -152.04 147.41 26.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.141 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.684 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -137.72 153.5 74.05 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.537 0.684 . . . . 0.0 111.089 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 2.26 3.7 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.66 2.24 . . . . 0.0 112.316 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -86.2 -37.69 18.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.81 36.36 0.55 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.489 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -138.01 140.27 40.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.791 HG22 HG23 ' A' ' 78' ' ' THR . 22.7 p -139.57 144.1 37.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.188 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.842 ' O ' HG23 ' A' ' 76' ' ' THR . 1.1 m-85 -136.25 175.03 9.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.6 m -118.1 125.46 50.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.184 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.47 HG22 ' C ' ' A' ' 75' ' ' ASN . 3.7 m -97.32 139.22 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.637 ' HG3' HD11 ' A' ' 90' ' ' LEU . 2.6 pt20 -130.7 135.61 47.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.494 ' HG3' ' CE2' ' A' ' 29' ' ' TRP . 44.5 ttt180 -98.0 127.13 43.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.637 HD11 ' HG3' ' A' ' 88' ' ' GLN . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.833 0.349 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.514 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 53.0 m95 -120.98 115.17 22.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -121.77 152.06 39.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.506 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 17.9 p90 -120.79 142.36 49.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.51 HG13 HG23 ' A' ' 37' ' ' THR . 2.2 mp -95.37 108.41 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.523 ' N ' ' O ' ' A' ' 36' ' ' ILE . 25.8 t70 -74.34 167.78 20.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.522 ' C ' ' O ' ' A' ' 33' ' ' ASP . 28.1 mtmm -28.02 -71.61 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -123.97 19.14 9.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.6 mp -132.33 154.35 39.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.51 HG23 HG13 ' A' ' 32' ' ' ILE . 17.1 m -122.44 98.55 5.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.165 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 -112.39 177.36 4.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.7 p -126.64 157.79 38.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.506 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 89.9 m-85 -78.38 168.23 20.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -79.23 -179.42 6.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.861 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -70.96 -30.81 67.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -75.23 -45.0 43.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 85.2 m -76.47 -37.62 56.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.428 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 2.3 t-20 -42.01 -45.92 4.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.577 ' O ' HG22 ' A' ' 50' ' ' VAL . 8.4 ptp -73.01 -38.81 66.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -50.73 -29.59 11.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.593 HD22 HG11 ' A' ' 70' ' ' VAL . 95.9 mt -84.95 -59.17 2.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.961 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.499 ' CG ' ' N ' ' A' ' 50' ' ' VAL . 6.7 pt-20 -48.75 -48.18 41.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 46' ' ' MET . 27.3 m -49.25 -46.82 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.643 ' CB ' HD11 ' A' ' 72' ' ' LEU . . . -65.34 -36.12 83.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.132 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.591 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 9.0 t90 -72.51 -30.55 64.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.47 ' HE3' ' CE3' ' A' ' 52' ' ' TRP . 6.1 mmpt? -82.41 -34.56 28.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.978 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.51 7.86 4.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.0 mttp 62.53 35.6 14.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -81.18 165.93 21.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -98.77 -31.85 11.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -162.42 144.9 11.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.824 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.471 ' HB ' ' CB ' ' A' ' 51' ' ' ALA . 9.1 t -128.36 132.0 48.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.148 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.9 t -81.18 138.15 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.079 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.482 HG23 HG13 ' A' ' 63' ' ' ILE . 33.8 m -145.94 153.58 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -84.72 105.59 15.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.486 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 56.3 mt -119.19 125.64 74.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.106 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 18.0 m170 62.32 30.55 17.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 70.89 27.91 3.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.486 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 3.9 pt20 -146.91 135.48 22.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.93 129.07 39.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.643 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.7 m-85 -129.15 154.99 46.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 37.4 m -107.16 106.91 17.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.593 HG11 HD22 ' A' ' 48' ' ' LEU . 85.1 t -90.59 104.7 15.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -81.47 116.53 21.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.643 HD11 ' CB ' ' A' ' 51' ' ' ALA . 6.6 mt -78.0 -37.13 47.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 t -44.76 -37.85 4.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.1 t -120.72 -17.04 8.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.14 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.415 ' CA ' HG23 ' A' ' 87' ' ' VAL . 2.6 m-20 74.51 54.93 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 85' ' ' PHE . 63.4 m -142.46 138.42 31.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.74 145.27 27.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.049 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.462 HG23 HG22 ' A' ' 84' ' ' THR . 47.8 m -147.18 145.54 29.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.643 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -136.0 153.1 76.69 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.561 0.696 . . . . 0.0 111.116 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 2.11 3.8 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -86.62 -37.47 18.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.21 32.27 0.8 Allowed Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.458 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -133.67 137.0 45.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.925 0.393 . . . . 0.0 110.857 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.462 HG22 HG23 ' A' ' 78' ' ' THR . 44.8 p -136.79 144.72 43.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.627 ' O ' HG23 ' A' ' 76' ' ' THR . 0.7 OUTLIER -136.25 175.12 9.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 84.2 m -120.4 123.75 43.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.415 HG23 ' CA ' ' A' ' 75' ' ' ASN . 2.6 m -97.06 146.01 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.471 ' HG3' HD11 ' A' ' 90' ' ' LEU . 11.0 pt20 -133.75 144.1 48.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.514 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 54.3 ttt-85 -107.52 125.98 51.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.487 ' N ' HD12 ' A' ' 90' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -123.76 124.34 42.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.916 0.389 . . . . 0.0 110.852 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.5 p -69.47 -45.84 68.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.42 -169.85 15.09 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.7 p -62.94 173.29 1.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.888 0.375 . . . . 0.0 110.864 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -133.83 -60.65 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.07 81.86 0.24 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.81 3.46 54.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.834 0.35 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.0 p -101.65 -63.53 1.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.1 mt -42.56 109.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.104 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.9 mmt-85 -48.29 166.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mt -142.05 147.7 37.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.2 48.78 1.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -132.47 -40.16 1.0 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -75.61 -31.93 60.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -71.24 -24.18 62.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -42.11 -31.11 0.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.7 m -42.26 -37.06 1.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.23 -58.8 5.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.18 -35.15 74.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.847 ' O ' HG23 ' A' ' 25' ' ' THR . 85.9 m-20 -71.26 -42.66 68.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -61.37 -27.46 68.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.935 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.437 ' O ' ' C ' ' A' ' 24' ' ' SER . 20.4 mt -89.55 -61.68 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.068 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 25' ' ' THR . 15.1 m -35.69 -40.62 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.847 HG23 ' O ' ' A' ' 21' ' ' ASP . 77.7 p -33.96 -48.06 0.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.456 ' CD2' ' OG1' ' A' ' 25' ' ' THR . 1.4 p90 -115.55 103.13 10.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.956 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.639 HG11 ' CD ' ' A' ' 49' ' ' GLU . 9.8 p -153.14 152.96 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.163 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -133.78 136.27 44.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.558 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 55.7 m95 -128.68 121.34 28.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -129.48 150.77 50.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 16.3 p90 -116.5 139.41 50.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.532 HG13 HG23 ' A' ' 37' ' ' THR . 2.2 mp -95.55 106.23 18.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 36' ' ' ILE . 43.9 t0 -73.57 167.58 21.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.506 ' C ' ' O ' ' A' ' 33' ' ' ASP . 19.5 mttm -28.95 -72.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.448 ' H ' HD12 ' A' ' 36' ' ' ILE . 38.5 t30 -122.96 19.17 10.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.543 ' N ' HD12 ' A' ' 36' ' ' ILE . 2.4 mp -132.32 149.03 31.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.532 HG23 HG13 ' A' ' 32' ' ' ILE . 19.7 m -119.54 97.91 5.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -113.84 174.78 5.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.7 p -123.57 160.89 26.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.574 ' CZ ' ' HB3' ' A' ' 31' ' ' TYR . 98.7 m-85 -80.68 162.06 24.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.18 166.95 5.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.03 -21.48 66.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 19.5 ptp -88.02 -38.83 15.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.4 m -76.95 -37.28 55.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.185 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.49 ' OD1' ' N ' ' A' ' 29' ' ' TRP . 27.2 t30 -41.6 -40.16 1.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.736 ' O ' HG22 ' A' ' 50' ' ' VAL . 5.4 ptp -78.18 -42.51 31.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.407 ' N ' ' CG ' ' A' ' 46' ' ' MET . 59.6 mttt -44.39 -27.06 0.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.5 mt -89.73 -53.4 4.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.639 ' CD ' HG11 ' A' ' 27' ' ' VAL . 5.1 pt-20 -51.49 -43.53 62.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.736 HG22 ' O ' ' A' ' 46' ' ' MET . 8.5 m -57.46 -33.58 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.71 -31.35 46.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.593 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 10.5 t90 -75.55 -29.0 59.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -89.49 -32.47 17.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.93 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.14 4.6 5.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.115 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt 64.03 35.14 10.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -79.33 164.55 23.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -93.07 -35.92 12.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.862 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -165.73 148.21 7.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.0 t -128.79 136.98 51.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.0 t -92.02 136.53 24.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.442 HG23 HG13 ' A' ' 63' ' ' ILE . 31.0 m -140.44 151.55 21.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.118 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.7 mp0 -80.63 105.76 12.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.459 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 84.2 mt -118.47 122.76 70.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 63.53 33.86 13.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.83 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 68.88 26.29 5.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.459 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 1.4 pt20 -146.41 130.28 17.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -61.61 131.93 51.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.575 ' CE2' ' CE2' ' A' ' 85' ' ' PHE . 4.0 m-85 -129.35 153.45 47.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 39.9 m -102.7 108.54 19.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.108 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.437 HG22 ' HB2' ' A' ' 77' ' ' ALA . 84.2 t -96.66 114.06 32.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 75' ' ' ASN . 1.5 t70 -91.85 120.41 32.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.455 HD22 ' HB2' ' A' ' 52' ' ' TRP . 6.5 mt -72.35 -42.63 65.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.8 t -42.21 -51.35 4.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.428 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 9.3 t -103.28 -18.27 14.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.121 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 71' ' ' ASP . 1.2 m120 68.79 55.03 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.86 HG23 ' O ' ' A' ' 85' ' ' PHE . 93.2 m -144.4 137.13 26.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.437 ' HB2' HG22 ' A' ' 70' ' ' VAL . . . -92.84 149.84 21.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.051 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.628 HG23 HG22 ' A' ' 84' ' ' THR . 22.0 m -152.52 145.29 24.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.499 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -136.06 154.61 77.62 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.623 0.725 . . . . 0.0 111.077 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 1.21 4.65 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.625 2.217 . . . . 0.0 112.366 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -86.93 -37.1 17.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 124.97 32.66 0.79 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.467 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -132.19 134.78 45.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.894 0.378 . . . . 0.0 110.906 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.628 HG22 HG23 ' A' ' 78' ' ' THR . 51.4 p -134.62 147.13 50.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.86 ' O ' HG23 ' A' ' 76' ' ' THR . 1.5 m-85 -139.03 175.17 9.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 40.4 m -120.49 125.04 46.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.156 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.5 m -98.82 135.01 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.559 ' HG3' HD11 ' A' ' 90' ' ' LEU . 10.8 pt20 -122.88 143.52 49.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.558 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 54.9 ttt-85 -104.57 125.33 50.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.559 HD11 ' HG3' ' A' ' 88' ' ' GLN . 1.0 OUTLIER -128.81 135.2 48.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.9 t -93.75 123.18 45.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -79.36 101.66 8.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -151.91 135.62 16.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.06 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.4 m -136.15 118.45 15.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 176.95 146.18 6.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 102.14 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.353 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.3 m -137.27 139.67 41.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.0 t -103.02 -46.94 4.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.508 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 3' ' ' SER . 1.5 t -146.86 144.88 29.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 110.866 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 2' ' ' SER . 17.4 t -36.56 -51.46 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.46 174.82 26.69 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.51 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.0 t -105.46 140.05 39.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 0.0 110.845 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.6 p -162.36 163.21 27.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.24 116.37 4.58 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -126.5 -60.93 1.23 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.829 0.347 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.2 p -56.8 146.99 24.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.7 mt -124.51 95.49 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.163 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -130.05 151.01 51.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.2 mt -38.94 118.29 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -163.32 167.39 21.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.6 tppt? -71.68 80.69 0.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -94.82 -52.6 4.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 18' ' ' SER . 78.3 mttt -40.52 -30.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 16' ' ' LYS . 12.9 tm-20 -37.64 -30.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 16' ' ' LYS . 60.2 p -44.33 -45.19 8.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -81.03 -39.06 26.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.54 -56.38 2.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.579 ' O ' HG22 ' A' ' 25' ' ' THR . 1.0 OUTLIER -71.74 -37.34 70.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.445 ' O ' HG22 ' A' ' 25' ' ' THR . 54.0 t80 -51.73 -38.55 55.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.8 mt -87.71 -61.41 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 26' ' ' TYR . 4.1 m -47.51 -46.82 27.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.579 HG22 ' O ' ' A' ' 21' ' ' ASP . 5.8 t -34.69 -33.5 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.559 ' O ' ' CG ' ' A' ' 26' ' ' TYR . 25.3 p90 -131.99 103.01 6.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.486 HG22 ' N ' ' A' ' 28' ' ' GLU . 14.9 p -154.14 158.12 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.486 ' N ' HG22 ' A' ' 27' ' ' VAL . 2.1 tp10 -136.64 134.32 37.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.522 ' CE3' ' HB3' ' A' ' 48' ' ' LEU . 31.7 m95 -123.67 128.88 50.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -128.24 151.7 48.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.943 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.577 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 33.8 p90 -119.49 140.75 49.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.59 HG13 HG23 ' A' ' 37' ' ' THR . 2.1 mp -95.72 107.86 20.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.097 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' A' ' 36' ' ' ILE . 9.7 t70 -73.88 167.44 21.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -29.7 -70.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.872 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -123.34 18.41 9.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.519 ' O ' ' N ' ' A' ' 33' ' ' ASP . 3.9 mp -132.24 152.01 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.59 HG23 HG13 ' A' ' 32' ' ' ILE . 9.2 m -120.9 97.94 5.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.138 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -113.61 174.59 5.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.4 p -117.82 163.53 16.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 31' ' ' TYR . 76.7 m-85 -77.3 170.65 16.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.71 178.19 2.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.78 -27.35 61.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 33.1 mtm -93.74 -31.11 14.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.444 HG21 ' HD2' ' A' ' 40' ' ' PHE . 95.3 m -75.46 -36.12 60.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -43.53 -41.64 4.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.617 ' O ' HG22 ' A' ' 50' ' ' VAL . 7.1 ptp -75.8 -36.68 59.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 55.9 mttt -51.0 -20.82 1.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.522 ' HB3' ' CE3' ' A' ' 29' ' ' TRP . 64.5 mt -95.89 -53.95 3.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.447 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 0.7 OUTLIER -54.14 -38.75 65.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.617 HG22 ' O ' ' A' ' 46' ' ' MET . 27.6 m -60.78 -47.36 93.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.524 ' N ' HG23 ' A' ' 50' ' ' VAL . . . -65.1 -35.66 81.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.486 ' HB2' HD22 ' A' ' 72' ' ' LEU . 10.8 t90 -69.77 -38.08 76.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -79.84 -31.46 40.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.11 12.68 2.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.128 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 79.1 mttt 54.49 38.17 29.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -82.46 158.15 23.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.6 tptt -84.6 -37.14 21.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -163.82 152.48 13.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 59' ' ' THR . 13.5 t -131.9 127.02 35.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.1 t -82.08 137.0 21.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.123 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.559 HG23 HG13 ' A' ' 63' ' ' ILE . 29.1 m -142.11 153.92 18.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.165 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -83.49 107.0 15.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.559 HG13 HG23 ' A' ' 61' ' ' VAL . 86.6 mt -119.59 119.83 61.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 64.26 36.97 8.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 67.34 25.16 8.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 1.8 pt20 -146.16 127.43 14.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -61.67 133.4 55.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.499 ' CE2' ' CE2' ' A' ' 85' ' ' PHE . 4.1 m-85 -129.31 150.1 50.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 40.0 m -98.07 105.59 17.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.181 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.513 HG22 ' HB2' ' A' ' 77' ' ' ALA . 57.4 t -93.38 111.28 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.163 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 75' ' ' ASN . 2.8 t0 -90.16 118.21 29.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.486 HD22 ' HB2' ' A' ' 52' ' ' TRP . 6.1 mt -72.7 -43.11 63.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 m -40.31 -43.41 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.449 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 9.3 t -111.46 -19.57 12.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.147 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.449 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.2 m120 71.6 54.98 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.85 HG23 ' O ' ' A' ' 85' ' ' PHE . 96.8 m -145.68 137.18 25.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.513 ' HB2' HG22 ' A' ' 70' ' ' VAL . . . -92.95 148.27 22.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.078 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.563 HG23 HG22 ' A' ' 84' ' ' THR . 23.8 m -151.25 145.64 25.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.153 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.457 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -137.47 155.45 75.44 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.581 0.705 . . . . 0.0 111.086 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.42 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 53.8 Cg_endo -69.8 1.93 4.02 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.67 2.247 . . . . 0.0 112.34 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -87.75 -39.15 15.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 126.14 34.39 0.63 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -133.64 132.17 40.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.363 . . . . 0.0 110.896 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.563 HG22 HG23 ' A' ' 78' ' ' THR . 49.8 p -132.53 144.38 50.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.85 ' O ' HG23 ' A' ' 76' ' ' THR . 1.6 m-85 -135.89 175.08 9.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.3 m -120.07 123.27 42.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.161 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.1 m -97.35 137.72 24.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.074 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.474 ' HG3' HD11 ' A' ' 90' ' ' LEU . 10.6 pt20 -127.03 140.9 51.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.42 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 64.6 ttt-85 -99.97 130.91 46.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.474 HD11 ' HG3' ' A' ' 88' ' ' GLN . 1.1 mp -132.52 138.07 47.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.456 HG12 ' HE2' ' A' ' 26' ' ' TYR . 46.4 t -98.55 123.23 50.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.097 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.43 ' NZ ' ' HA ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -81.36 82.73 7.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.18 141.64 58.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.1 t -114.25 110.9 20.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 103.03 130.72 7.07 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 153.85 68.57 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.711 2.274 . . . . 0.0 112.334 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.1 m -145.33 108.2 4.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 29.2 t -161.26 164.39 30.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 179.963 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.4 m -122.16 95.17 4.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.901 0.382 . . . . 0.0 110.841 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -103.87 149.88 24.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.88 134.03 13.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.4 p -122.16 -50.69 2.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 0.0 110.863 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 t -61.95 130.73 46.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.835 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.94 169.53 15.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.31 154.67 4.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.744 0.307 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.8 p -61.16 165.93 4.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.481 ' C ' HD12 ' A' ' 10' ' ' ILE . 2.8 pp -73.23 158.56 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.12 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.6 mtp180 -94.64 -39.84 10.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.827 ' C ' HD22 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -154.35 157.44 38.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.964 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.478 ' N ' HD22 ' A' ' 12' ' ' LEU . . . -111.08 162.18 15.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? 62.36 41.57 10.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -61.05 -48.18 82.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 18' ' ' SER . 27.2 mtmm -60.77 -32.16 71.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 16' ' ' LYS . 4.9 tp10 -37.6 -29.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 16' ' ' LYS . 2.0 m -47.07 -46.43 22.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -76.26 -41.12 50.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.445 ' HB1' ' HZ2' ' A' ' 53' ' ' LYS . . . -47.99 -61.67 1.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.075 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -46.71 -42.61 16.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.862 ' O ' HG22 ' A' ' 25' ' ' THR . 4.2 t80 -57.64 -54.36 47.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.4 HG23 ' CZ ' ' A' ' 26' ' ' TYR . 87.6 mt -39.81 -48.53 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.116 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 26' ' ' TYR . 13.1 m -39.99 -41.16 1.16 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.862 HG22 ' O ' ' A' ' 22' ' ' TYR . 7.5 t -33.58 -35.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.592 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 43.7 p90 -125.02 103.19 7.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.47 HG22 ' N ' ' A' ' 28' ' ' GLU . 14.9 p -154.24 157.87 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.144 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.47 ' N ' HG22 ' A' ' 27' ' ' VAL . 14.6 tt0 -127.65 133.25 49.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.52 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 59.5 m95 -130.57 115.15 16.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -125.48 152.07 45.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.542 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 25.9 p90 -117.9 143.7 46.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.56 HG13 HG23 ' A' ' 37' ' ' THR . 2.2 mp -98.81 106.64 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.519 ' O ' ' C ' ' A' ' 34' ' ' LYS . 20.5 t70 -74.53 167.47 21.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.833 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.519 ' C ' ' O ' ' A' ' 33' ' ' ASP . 13.8 mmtp -27.93 -73.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -121.9 18.8 10.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.504 ' O ' ' N ' ' A' ' 33' ' ' ASP . 3.2 mp -132.41 147.22 32.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.56 HG23 HG13 ' A' ' 32' ' ' ILE . 18.0 m -117.32 99.9 7.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.122 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -113.51 179.65 3.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.7 p -126.35 162.52 25.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.542 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 96.9 m-85 -82.55 159.74 22.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 43' ' ' MET . 0.5 OUTLIER -75.43 141.78 43.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.01 -25.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.502 ' N ' ' O ' ' A' ' 41' ' ' ASP . 70.0 mtm -74.06 -48.44 29.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.891 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 47' ' ' LYS . 98.3 m -77.17 -41.43 41.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.175 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 44' ' ' THR . 3.4 t-20 -34.36 -44.34 0.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.624 ' O ' HG13 ' A' ' 50' ' ' VAL . 8.0 ptp -74.21 -43.72 56.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 44' ' ' THR . 73.5 mttt -50.29 -24.45 2.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.0 mt -91.2 -53.44 4.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.43 ' CD ' HG11 ' A' ' 27' ' ' VAL . 6.6 pt-20 -54.32 -35.67 62.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.624 HG13 ' O ' ' A' ' 46' ' ' MET . 35.0 m -62.62 -43.4 98.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.469 ' N ' HG23 ' A' ' 50' ' ' VAL . . . -67.71 -29.26 68.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.45 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 10.5 t90 -73.96 -36.72 64.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.954 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.445 ' HZ2' ' HB1' ' A' ' 20' ' ' ALA . 24.3 mmmt -83.47 -27.04 29.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.94 17.37 1.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.121 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt 48.91 38.63 12.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -84.23 159.52 20.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -86.61 -34.76 19.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -166.96 152.6 7.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.7 t -130.63 134.03 46.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.6 t -86.7 135.73 24.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.083 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.504 HG23 HG13 ' A' ' 63' ' ' ILE . 32.9 m -141.8 151.29 18.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.077 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -79.65 109.72 14.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.504 HG13 HG23 ' A' ' 61' ' ' VAL . 68.5 mt -122.42 119.91 59.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 66.08 35.32 6.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.833 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.8 t30 66.76 28.03 9.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.473 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.5 pt20 -147.17 132.91 18.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -61.97 130.91 47.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.675 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.6 m-85 -129.46 156.0 44.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 56.8 m -108.11 110.08 21.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.093 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.3 t -95.65 115.45 34.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 75' ' ' ASN . 4.1 t0 -92.6 117.88 30.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.402 HD11 ' HB1' ' A' ' 51' ' ' ALA . 9.9 mt -71.4 -43.4 66.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.8 m -43.93 -53.42 6.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.437 HG22 ' HB3' ' A' ' 71' ' ' ASP . 11.6 t -98.65 -21.94 16.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.121 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 71' ' ' ASP . 1.2 m120 71.15 53.57 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.679 HG23 ' O ' ' A' ' 85' ' ' PHE . 96.7 m -143.24 134.47 25.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.413 ' HB3' ' HD2' ' A' ' 85' ' ' PHE . . . -92.88 144.15 25.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.073 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.738 HG23 HG22 ' A' ' 84' ' ' THR . 10.1 m -146.32 148.32 32.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.675 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -139.89 153.35 69.62 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.595 0.712 . . . . 0.0 111.123 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 3.13 2.96 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.249 . . . . 0.0 112.362 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -87.71 -36.79 17.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 124.69 32.71 0.8 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.505 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -133.6 139.61 46.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.887 0.375 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.738 HG22 HG23 ' A' ' 78' ' ' THR . 37.1 p -141.08 141.06 34.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.679 ' O ' HG23 ' A' ' 76' ' ' THR . 0.7 OUTLIER -132.76 175.12 9.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 40.7 m -118.83 124.45 47.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.129 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.404 HG23 ' HB3' ' A' ' 75' ' ' ASN . 3.0 m -97.19 136.73 26.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.169 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -127.64 136.93 52.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.52 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 52.7 ttt-85 -97.98 131.29 44.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.28 139.6 48.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.3 t -95.36 120.28 44.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -82.7 108.41 16.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -100.58 129.87 46.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.064 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.6 m -100.92 112.3 24.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.828 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -173.29 -95.22 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.445 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 127.23 14.28 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.645 2.23 . . . . 0.0 112.314 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 85.5 p -103.47 141.23 36.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.835 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 99' ' ' GLY . 1.7 t -55.14 124.15 15.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.843 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 98' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.504 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.0 p -76.05 -46.86 27.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.871 0.367 . . . . 0.0 110.855 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -91.71 148.82 21.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.862 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.5 -67.44 0.45 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.52 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 t -109.45 131.95 54.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.854 0.359 . . . . 0.0 110.908 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 7' ' ' GLY . 33.2 t -146.8 127.7 14.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 8' ' ' LYS . . . -34.82 115.9 0.19 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 7' ' ' GLY . 14.1 pttm -34.41 139.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.816 0.341 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.5 m -81.64 166.27 20.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.856 ' O ' HD12 ' A' ' 12' ' ' LEU . 80.5 mt -100.09 83.93 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.149 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 50.61 51.22 17.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.856 HD12 ' O ' ' A' ' 10' ' ' ILE . 3.7 mp -116.68 -177.05 3.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.8 -75.38 0.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -155.44 137.26 14.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.402 ' O ' ' OE2' ' A' ' 17' ' ' GLU . 6.3 pt-20 -46.18 -29.9 1.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.21 -21.35 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.915 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.456 ' HG2' ' N ' ' A' ' 18' ' ' SER . 1.5 pm0 -42.06 -29.18 0.21 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.456 ' N ' ' HG2' ' A' ' 17' ' ' GLU . 1.8 m -50.92 -42.74 59.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.836 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -95.43 -47.9 6.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.573 ' HB1' ' CE ' ' A' ' 53' ' ' LYS . . . -48.99 -53.59 19.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.049 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -50.92 -56.27 13.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.538 ' CE2' ' OH ' ' A' ' 26' ' ' TYR . 26.3 t80 -41.72 -40.16 1.91 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.0 mt -75.33 -46.14 38.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.113 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.465 ' O ' ' C ' ' A' ' 25' ' ' THR . 20.9 m -55.22 -42.71 73.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.818 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.465 ' C ' ' O ' ' A' ' 24' ' ' SER . 0.2 OUTLIER -32.95 -44.82 0.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 -179.908 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.538 ' OH ' ' CE2' ' A' ' 22' ' ' TYR . 3.1 p90 -117.53 103.07 9.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.7 p -153.84 151.49 11.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 -134.31 131.34 38.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.543 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 49.1 m95 -120.81 119.83 33.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -123.37 149.25 45.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.564 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 19.5 p90 -118.5 145.27 45.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.563 HG13 HG23 ' A' ' 37' ' ' THR . 2.2 mp -99.19 107.96 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.523 ' N ' ' O ' ' A' ' 36' ' ' ILE . 17.1 t70 -73.88 167.78 20.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.513 ' C ' ' O ' ' A' ' 33' ' ' ASP . 31.2 mtpt -29.07 -72.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -121.97 18.13 10.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.0 mp -132.26 153.96 39.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.563 HG23 HG13 ' A' ' 32' ' ' ILE . 13.5 m -121.08 97.95 5.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 31' ' ' TYR . 19.2 mt-30 -111.04 178.04 4.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 32.0 p -129.04 159.48 35.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 98.2 m-85 -80.07 161.5 25.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -68.89 177.36 2.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -68.82 -34.78 76.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.1 ptp -74.87 -42.85 57.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.2 m -74.07 -35.39 64.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.083 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.447 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 19.1 t-20 -43.86 -46.04 7.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.515 ' O ' HG13 ' A' ' 50' ' ' VAL . 9.1 ptp -75.15 -36.67 61.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -50.63 -23.23 2.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.478 HD23 ' CG2' ' A' ' 59' ' ' THR . 88.9 mt -95.44 -51.82 4.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 50' ' ' VAL . 1.6 pp20? -53.6 -36.67 62.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.529 HG23 ' N ' ' A' ' 51' ' ' ALA . 26.7 m -58.85 -49.05 84.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.149 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.529 ' N ' HG23 ' A' ' 50' ' ' VAL . . . -62.7 -32.84 74.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.077 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.427 ' HA ' HD13 ' A' ' 72' ' ' LEU . 12.2 t90 -69.59 -37.51 76.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.573 ' CE ' ' HB1' ' A' ' 20' ' ' ALA . 20.7 mmmt -79.22 -30.5 43.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.92 17.54 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.8 mttt 47.53 37.61 6.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -78.53 162.81 26.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -87.04 -36.87 17.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.6 p30 -164.41 152.13 12.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.478 ' CG2' HD23 ' A' ' 48' ' ' LEU . 9.8 t -128.23 128.26 44.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.7 t -84.33 133.88 28.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.559 HG23 HG13 ' A' ' 63' ' ' ILE . 33.4 m -140.13 152.35 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -81.73 105.57 12.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.559 HG13 HG23 ' A' ' 61' ' ' VAL . 84.3 mt -118.11 118.03 56.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.492 ' ND1' HG22 ' A' ' 63' ' ' ILE . 0.2 OUTLIER 67.08 40.02 3.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.858 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 63.82 25.86 14.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.485 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 6.2 pt20 -147.28 129.77 15.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.89 132.64 53.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.632 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.5 m-85 -128.91 152.64 48.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.2 m -101.47 106.87 18.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.509 HG22 ' HB2' ' A' ' 77' ' ' ALA . 65.1 t -94.5 112.82 27.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 75' ' ' ASN . 8.0 t0 -89.31 120.84 31.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 52' ' ' TRP . 11.4 mt -73.47 -39.23 65.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.922 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.6 t -45.19 -54.07 7.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.839 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.429 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 8.9 t -100.67 -19.56 16.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.429 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.4 m120 71.31 53.73 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.886 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.876 HG23 ' O ' ' A' ' 85' ' ' PHE . 98.6 m -142.36 137.09 30.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.091 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.509 ' HB2' HG22 ' A' ' 70' ' ' VAL . . . -92.86 148.43 22.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.626 HG23 HG22 ' A' ' 84' ' ' THR . 19.9 m -150.21 145.41 26.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.632 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -136.23 153.36 76.51 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.6 0.714 . . . . 0.0 111.089 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 3.85 2.54 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.678 2.252 . . . . 0.0 112.342 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -89.49 -37.84 14.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.444 ' C ' ' OE1' ' A' ' 83' ' ' GLN . . . 125.87 34.89 0.62 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.488 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.444 ' OE1' ' C ' ' A' ' 82' ' ' GLY . 5.4 mp0 -135.06 133.53 39.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.881 0.372 . . . . 0.0 110.927 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.626 HG22 HG23 ' A' ' 78' ' ' THR . 42.2 p -133.66 144.18 49.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.876 ' O ' HG23 ' A' ' 76' ' ' THR . 1.1 m-85 -136.26 175.1 9.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.7 m -119.24 124.3 46.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.42 HG22 ' C ' ' A' ' 75' ' ' ASN . 2.9 m -97.23 138.39 22.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.439 ' HG3' HD11 ' A' ' 90' ' ' LEU . 7.9 pt20 -128.15 146.1 50.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.973 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.543 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 48.7 ttt-85 -107.07 131.97 53.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.517 ' N ' HD12 ' A' ' 90' ' ' LEU . 1.2 mp -134.87 133.3 39.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.48 ' O ' HG13 ' A' ' 91' ' ' VAL . 11.4 p -97.47 122.39 48.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -73.43 89.04 1.62 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -109.89 167.95 9.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.062 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.7 t -65.87 98.63 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -65.76 146.07 49.02 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.456 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 87.98 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.659 2.239 . . . . 0.0 112.354 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.9 m -174.13 169.35 3.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.823 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 43.4 t -112.91 -55.14 2.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.83 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.495 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.0 p -104.89 149.19 25.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.368 . . . . 0.0 110.876 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.8 m -44.71 -61.8 1.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 42.17 -140.63 1.85 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.474 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.5 p -112.13 168.35 9.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.903 0.382 . . . . 0.0 110.836 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -92.34 118.27 30.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.897 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.05 -129.08 3.08 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.46 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -74.91 144.05 43.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.759 0.314 . . . . 0.0 110.935 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.5 m -109.31 103.08 11.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.834 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.451 ' O ' HG23 ' A' ' 10' ' ' ILE . 19.0 tt -77.37 123.3 33.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.142 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.453 ' C ' HD12 ' A' ' 12' ' ' LEU . 7.1 ptp85 -160.48 141.66 12.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.507 ' N ' HD12 ' A' ' 12' ' ' LEU . 4.5 mp -126.99 125.96 42.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.06 154.05 29.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.082 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.0 mmtt 56.6 42.85 26.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -71.53 -46.37 59.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -58.74 -28.0 65.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -39.85 -35.99 0.4 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.5 t -46.92 -44.46 19.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -89.92 -50.98 5.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.5 -52.62 2.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -65.4 -41.49 93.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.448 ' O ' ' CZ ' ' A' ' 26' ' ' TYR . 74.8 t80 -52.26 -26.96 13.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.613 ' O ' ' CD1' ' A' ' 26' ' ' TYR . 18.5 mt -94.89 -60.08 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 26' ' ' TYR . 1.7 m -50.51 -34.69 26.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.834 HG23 ' CD2' ' A' ' 26' ' ' TYR . 12.8 t -35.17 -31.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.834 ' CD2' HG23 ' A' ' 25' ' ' THR . 0.4 OUTLIER -121.24 103.33 8.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.796 HG11 ' CD ' ' A' ' 49' ' ' GLU . 13.8 p -154.13 146.85 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.067 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.42 ' O ' HD12 ' A' ' 90' ' ' LEU . 3.5 tp10 -128.04 121.13 28.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.509 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 51.8 m95 -115.15 119.53 36.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.953 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.404 ' HG2' ' CB ' ' A' ' 39' ' ' CYS . 46.2 mt-30 -125.32 151.72 45.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.495 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 24.7 p90 -119.12 138.8 52.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.545 HG13 HG23 ' A' ' 37' ' ' THR . 2.0 mp -92.35 108.59 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.131 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' A' ' 36' ' ' ILE . 23.8 t0 -73.9 167.53 21.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.499 ' C ' ' O ' ' A' ' 33' ' ' ASP . 17.5 mmmt -30.13 -70.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -122.77 17.54 10.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.6 mp -132.31 154.06 39.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.545 HG23 HG13 ' A' ' 32' ' ' ILE . 12.5 m -121.11 97.93 5.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.194 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -111.62 177.41 4.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.404 ' CB ' ' HG2' ' A' ' 30' ' ' GLN . 30.8 p -127.42 154.79 44.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.575 ' HE1' HD11 ' A' ' 63' ' ' ILE . 97.6 m-85 -72.04 166.93 21.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -74.06 178.68 4.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.8 pttt -69.7 -32.45 71.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 47.9 mtp -77.76 -43.89 29.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.1 m -73.33 -37.33 66.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -42.39 -44.98 4.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.697 ' O ' HG22 ' A' ' 50' ' ' VAL . 7.1 ptp -76.69 -35.65 57.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -53.1 -20.11 3.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.586 HD22 HG11 ' A' ' 70' ' ' VAL . 86.3 mt -96.02 -56.89 2.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.796 ' CD ' HG11 ' A' ' 27' ' ' VAL . 4.2 pt-20 -49.59 -45.34 47.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.697 HG22 ' O ' ' A' ' 46' ' ' MET . 22.8 m -53.58 -39.42 37.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.725 ' HB1' HD11 ' A' ' 72' ' ' LEU . . . -70.63 -33.65 71.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.081 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.51 ' HB2' HD22 ' A' ' 72' ' ' LEU . 10.5 t90 -73.39 -35.97 65.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.424 ' NZ ' ' HB3' ' A' ' 53' ' ' LYS . 0.1 OUTLIER -76.81 -38.28 54.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.83 4.2 5.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt 61.64 36.43 16.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -76.75 162.36 27.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -88.01 -34.39 18.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -168.52 144.95 3.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.487 ' CG2' HD23 ' A' ' 48' ' ' LEU . 12.0 t -123.17 130.52 52.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.9 t -83.93 138.36 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.122 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.537 HG23 HG13 ' A' ' 63' ' ' ILE . 27.7 m -144.16 148.12 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.164 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -79.32 106.68 11.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.575 HD11 ' HE1' ' A' ' 40' ' ' PHE . 66.7 mt -118.86 131.53 71.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.424 ' CB ' HE21 ' A' ' 66' ' ' GLN . 10.6 m170 56.13 29.78 15.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 73.53 25.15 2.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.46 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.3 pt20 -145.3 132.88 20.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.98 130.74 47.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.671 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 4.2 m-85 -129.04 151.11 50.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 34.2 m -100.82 107.13 18.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.174 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.586 HG11 HD22 ' A' ' 48' ' ' LEU . 96.5 t -91.79 106.28 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 75' ' ' ASN . 6.7 t0 -83.75 115.97 22.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.725 HD11 ' HB1' ' A' ' 51' ' ' ALA . 6.8 mt -73.18 -42.45 62.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.8 m -45.71 -46.82 15.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.457 HG22 ' HB3' ' A' ' 71' ' ' ASP . 11.0 t -105.59 -18.01 14.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.186 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.9 OUTLIER 68.18 52.94 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 85' ' ' PHE . 77.3 m -142.61 133.27 25.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.95 147.89 22.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.083 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.772 HG23 HG22 ' A' ' 84' ' ' THR . 10.7 m -150.91 148.56 28.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.671 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -139.1 153.25 71.28 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.586 0.708 . . . . 0.0 111.078 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 2.45 3.52 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.728 2.285 . . . . 0.0 112.33 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 57.3 mm-40 -86.73 -36.38 18.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.942 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.428 ' C ' ' OE1' ' A' ' 83' ' ' GLN . . . 124.32 37.1 0.58 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.428 ' OE1' ' C ' ' A' ' 82' ' ' GLY . 1.1 mp0 -138.84 141.06 38.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.843 0.354 . . . . 0.0 110.931 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.772 HG22 HG23 ' A' ' 78' ' ' THR . 22.2 p -141.14 144.27 34.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.168 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.605 ' O ' HG23 ' A' ' 76' ' ' THR . 1.0 OUTLIER -135.98 175.01 9.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 46.6 m -119.49 123.97 45.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.2 m -97.33 139.12 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -126.4 142.66 51.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.959 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.509 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 68.0 ttt-85 -110.23 122.33 47.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.42 HD12 ' O ' ' A' ' 28' ' ' GLU . 0.6 OUTLIER -121.36 134.24 55.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 83.1 t -84.9 111.68 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.15 165.75 11.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -174.9 122.95 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.075 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 35.3 t -57.51 -49.57 75.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -78.44 152.34 37.53 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.509 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 103.76 1.21 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.639 2.226 . . . . 0.0 112.361 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.3 m -76.21 164.92 25.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.0 m -94.62 -44.07 8.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 179.965 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.1 m -130.55 89.65 2.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.909 0.385 . . . . 0.0 110.891 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 m -124.53 137.05 54.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.6 176.03 20.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.51 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.8 m -87.06 111.52 20.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.873 0.368 . . . . 0.0 110.82 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -112.01 130.32 55.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.915 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.24 -159.6 17.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.467 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -98.97 41.6 1.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.779 0.323 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.2 m -103.32 85.68 2.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.2 pt -100.14 40.13 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -98.08 137.27 37.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.2 mt -117.14 100.84 7.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -158.06 126.4 5.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.09 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? 50.02 41.46 23.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 17' ' ' GLU . 0.5 OUTLIER -83.38 -49.56 9.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -40.18 -26.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 15' ' ' GLU . 81.4 mt-10 -41.02 -40.4 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 19' ' ' GLN . 96.5 p -43.65 -42.98 5.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 20' ' ' ALA . 8.9 pt20 -37.73 -42.07 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.92 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 19' ' ' GLN . . . -35.58 -44.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 22' ' ' TYR . 3.7 m-20 -73.49 -55.45 6.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.427 ' C ' ' O ' ' A' ' 21' ' ' ASP . 10.8 t80 -34.93 -38.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.983 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.4 mt -84.37 -57.83 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.159 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 25' ' ' THR . 17.7 m -42.47 -41.68 3.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 24' ' ' SER . 21.4 p -34.99 -40.37 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.156 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.405 ' CE2' ' O ' ' A' ' 22' ' ' TYR . 2.6 p90 -123.14 102.77 8.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.544 HG11 ' CD ' ' A' ' 49' ' ' GLU . 8.9 p -154.27 157.47 4.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.138 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.408 ' N ' HG22 ' A' ' 27' ' ' VAL . 3.0 tp10 -143.1 115.0 8.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.533 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 45.7 m95 -107.53 121.32 44.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -126.51 149.17 49.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 20.6 p90 -115.77 141.7 47.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.59 HG13 HG23 ' A' ' 37' ' ' THR . 2.2 mp -95.23 107.59 19.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' A' ' 36' ' ' ILE . 23.9 t70 -73.55 167.85 20.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.51 ' C ' ' O ' ' A' ' 33' ' ' ASP . 43.4 mttp -29.02 -72.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -122.46 18.07 10.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.5 mp -132.21 154.17 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.59 HG23 HG13 ' A' ' 32' ' ' ILE . 12.7 m -122.65 98.79 6.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -111.64 176.19 5.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.6 p -121.62 160.31 24.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 31' ' ' TYR . 87.1 m-85 -80.55 166.54 21.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -76.03 179.84 5.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.4 ptpp? -70.94 -34.39 71.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 9.3 mmt -73.54 -45.0 56.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.6 m -75.49 -36.7 60.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -44.0 -40.46 4.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.728 ' O ' HG22 ' A' ' 50' ' ' VAL . 6.5 ptp -81.44 -41.83 21.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.409 ' C ' HG22 ' A' ' 50' ' ' VAL . 62.2 mttm -46.22 -21.88 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.672 HD23 HG21 ' A' ' 59' ' ' THR . 62.3 mt -93.52 -68.83 0.78 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.544 ' CD ' HG11 ' A' ' 27' ' ' VAL . 6.9 pt-20 -40.5 -36.9 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 46' ' ' MET . 16.0 m -59.4 -44.04 91.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.155 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.539 ' HB1' HD11 ' A' ' 72' ' ' LEU . . . -71.86 -36.22 70.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.074 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.551 ' HB2' HD22 ' A' ' 72' ' ' LEU . 12.0 t90 -67.45 -34.37 77.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -83.67 -32.89 25.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.98 12.28 2.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.8 mtmt 55.1 39.75 31.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.413 ' HB2' ' HB1' ' A' ' 51' ' ' ALA . 13.1 mmmt -78.48 174.4 11.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -100.64 -35.77 9.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -170.61 149.37 3.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.672 HG21 HD23 ' A' ' 48' ' ' LEU . 10.7 t -126.65 138.31 53.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.5 t -89.94 136.95 22.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.8 m -144.02 141.2 24.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -76.61 104.58 7.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.482 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 91.1 mt -115.34 123.77 71.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 64.49 37.05 8.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.0 m120 66.38 27.15 10.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.0 pt20 -147.19 129.42 15.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.86 133.12 55.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.636 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.6 m-85 -128.47 165.22 21.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 29.0 m -115.11 107.61 15.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.134 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 89.9 t -93.08 116.6 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 75' ' ' ASN . 2.2 t70 -94.7 117.65 30.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.551 HD22 ' HB2' ' A' ' 52' ' ' TRP . 7.9 mt -71.45 -40.59 70.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 t -45.95 -54.63 7.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.402 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 9.9 t -97.63 -24.1 15.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.156 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 71' ' ' ASP . 1.7 m120 74.81 48.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.653 HG23 ' O ' ' A' ' 85' ' ' PHE . 99.2 m -137.99 138.05 38.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -96.93 144.19 27.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.666 HG23 HG22 ' A' ' 84' ' ' THR . 6.5 m -146.08 149.46 34.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.636 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -140.48 153.25 68.2 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.581 0.705 . . . . 0.0 111.125 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 3.26 2.88 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.727 2.285 . . . . 0.0 112.321 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -88.08 -36.67 16.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.44 ' C ' ' OE1' ' A' ' 83' ' ' GLN . . . 123.65 35.8 0.67 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.562 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.44 ' OE1' ' C ' ' A' ' 82' ' ' GLY . 2.9 mp0 -137.01 140.71 42.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.893 0.378 . . . . 0.0 110.909 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.666 HG22 HG23 ' A' ' 78' ' ' THR . 19.5 p -139.86 146.0 38.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.653 ' O ' HG23 ' A' ' 76' ' ' THR . 0.9 OUTLIER -136.76 174.83 10.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.9 m -118.85 124.12 46.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.421 ' CG2' ' C ' ' A' ' 75' ' ' ASN . 2.1 m -97.72 137.9 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.134 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.692 ' HG3' HD11 ' A' ' 90' ' ' LEU . 10.0 pt20 -132.03 142.02 49.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.533 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 53.3 ttt-85 -99.69 132.31 45.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.692 HD11 ' HG3' ' A' ' 88' ' ' GLN . 1.7 mp -135.64 147.91 48.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.8 p -102.42 149.18 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.3 mmtm -121.41 43.46 2.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.66 108.92 2.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.9 t -53.94 106.71 0.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.84 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -114.58 -147.05 9.33 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.475 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 2.78 3.24 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.7 2.267 . . . . 0.0 112.321 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 64.8 p -116.0 86.63 2.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 89.7 p -59.66 121.56 11.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.427 -179.939 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.531 -0.227 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.6 m 60.57 43.6 12.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.827 0.346 . . . . 0.0 110.872 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.9 p -90.37 167.85 12.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.21 156.49 22.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.0 m -60.32 -46.1 91.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.924 0.392 . . . . 0.0 110.837 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -173.93 125.65 0.36 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.16 74.32 1.45 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.542 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.2 ptmm? -134.73 -33.69 0.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.847 0.356 . . . . 0.0 110.959 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.7 t -66.33 -30.52 70.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.473 HD13 ' H ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -84.56 19.11 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 64.1 mtt180 -91.96 167.94 11.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 mp -62.8 127.08 29.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.467 ' O ' ' C ' ' A' ' 14' ' ' LYS . . . -152.84 139.54 18.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 13' ' ' ALA . 5.9 ptpp? 32.94 50.24 0.21 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -70.96 -37.46 72.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 17' ' ' GLU . 12.5 ptmt -57.65 -25.99 60.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 16' ' ' LYS . 6.0 mm-40 -37.0 -35.08 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.934 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.6 t -38.27 -43.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -53.52 -46.5 70.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.937 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.26 -62.05 1.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.113 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.479 ' O ' HG23 ' A' ' 25' ' ' THR . 4.4 p-10 -66.31 -50.23 64.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -41.32 -32.62 0.32 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 23.3 mt -82.61 -38.49 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.138 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 25' ' ' THR . 23.1 m -66.18 -40.4 90.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.811 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.479 HG23 ' O ' ' A' ' 21' ' ' ASP . 54.1 p -34.11 -40.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.575 ' CE2' ' CG2' ' A' ' 91' ' ' VAL . 5.8 p90 -126.03 103.0 7.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.7 p -154.15 151.11 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.115 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.423 ' HB2' ' CG ' ' A' ' 92' ' ' LYS . 33.5 tp10 -127.59 129.48 47.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.504 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 43.8 m95 -121.62 118.84 30.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.452 ' HG2' ' CB ' ' A' ' 39' ' ' CYS . 45.0 mt-30 -123.33 155.21 37.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.544 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 13.8 p90 -123.93 144.2 49.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.533 HG13 HG23 ' A' ' 37' ' ' THR . 2.2 mp -98.28 109.04 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.147 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.518 ' O ' ' C ' ' A' ' 34' ' ' LYS . 18.4 t70 -74.76 167.83 21.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.518 ' C ' ' O ' ' A' ' 33' ' ' ASP . 35.0 mttt -28.51 -72.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -123.15 18.84 9.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.0 mp -132.26 154.1 39.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.181 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.533 HG23 HG13 ' A' ' 32' ' ' ILE . 19.2 m -123.43 103.97 8.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.152 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -120.27 -179.75 4.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.452 ' CB ' ' HG2' ' A' ' 30' ' ' GLN . 31.7 p -127.93 159.3 35.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.544 ' CZ ' ' HB3' ' A' ' 31' ' ' TYR . 99.6 m-85 -79.37 166.34 22.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -75.31 -178.03 3.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.8 pptp? -73.24 -26.29 61.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.473 ' HG3' ' N ' ' A' ' 44' ' ' THR . 16.2 ptm -79.75 -38.87 32.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.473 ' N ' ' HG3' ' A' ' 43' ' ' MET . 96.8 m -82.63 -38.69 23.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -38.89 -41.51 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.524 ' O ' HG22 ' A' ' 50' ' ' VAL . 8.8 ptp -77.55 -41.83 37.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -45.57 -22.71 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.442 HD11 ' CE2' ' A' ' 40' ' ' PHE . 94.2 mt -96.08 -56.81 2.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.438 ' C ' ' OE1' ' A' ' 49' ' ' GLU . 0.7 OUTLIER -50.06 -38.56 38.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.562 HG23 ' N ' ' A' ' 51' ' ' ALA . 34.2 m -62.33 -48.38 88.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.562 ' N ' HG23 ' A' ' 50' ' ' VAL . . . -64.44 -32.18 73.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.1 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.47 ' HB2' HD22 ' A' ' 72' ' ' LEU . 14.1 t90 -74.6 -39.57 62.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.42 ' NZ ' ' HB3' ' A' ' 53' ' ' LYS . 0.2 OUTLIER -71.21 -36.98 72.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.87 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.09 10.1 3.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt 53.86 39.78 30.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.47 ' O ' HD12 ' A' ' 72' ' ' LEU . 41.3 mmtt -76.81 162.78 27.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.876 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -83.38 -38.17 22.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.0 p30 -166.84 152.44 7.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.468 ' HB ' ' CB ' ' A' ' 51' ' ' ALA . 14.0 t -132.12 131.58 42.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.4 t -86.45 134.09 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.553 HG23 HG13 ' A' ' 63' ' ' ILE . 32.8 m -138.53 151.98 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -81.37 106.39 13.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.553 HG13 HG23 ' A' ' 61' ' ' VAL . 81.6 mt -118.27 116.69 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.467 ' ND1' HG22 ' A' ' 63' ' ' ILE . 0.2 OUTLIER 66.41 40.52 3.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.5 t30 64.4 25.67 13.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.485 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.7 pt20 -146.97 127.19 13.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.73 133.3 55.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.576 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.8 m-85 -128.87 151.32 49.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 57.7 m -98.75 107.25 19.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.107 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.582 HG22 ' HB2' ' A' ' 77' ' ' ALA . 75.5 t -96.12 115.83 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 75' ' ' ASN . 3.5 t0 -93.44 121.86 35.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.47 HD12 ' O ' ' A' ' 56' ' ' LYS . 9.7 mt -73.22 -41.97 63.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.8 t -42.53 -53.02 4.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.824 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.448 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 10.2 t -102.01 -19.84 15.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.138 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.448 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.2 m120 70.79 52.66 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.724 HG23 ' O ' ' A' ' 85' ' ' PHE . 99.7 m -141.22 135.07 30.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.182 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.582 ' HB2' HG22 ' A' ' 70' ' ' VAL . . . -92.81 148.64 21.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.058 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.672 HG23 HG22 ' A' ' 84' ' ' THR . 21.1 m -151.38 145.37 25.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.576 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -135.4 153.71 78.06 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.56 0.695 . . . . 0.0 111.138 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 3.31 2.84 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.692 2.261 . . . . 0.0 112.385 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -88.17 -39.66 14.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 127.99 33.06 0.61 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.494 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.4 mp0 -134.38 136.02 43.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.911 0.386 . . . . 0.0 110.898 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.672 HG22 HG23 ' A' ' 78' ' ' THR . 33.1 p -135.72 144.99 46.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.201 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.724 ' O ' HG23 ' A' ' 76' ' ' THR . 0.8 OUTLIER -136.3 175.59 9.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.2 m -121.52 123.55 42.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.172 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.9 m -96.98 134.73 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.148 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.958 ' HG3' HD11 ' A' ' 90' ' ' LEU . 10.0 pt20 -126.15 142.94 51.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.504 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 43.5 ttt-85 -99.07 124.18 43.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.958 HD11 ' HG3' ' A' ' 88' ' ' GLN . 0.6 OUTLIER -132.31 122.69 25.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.575 ' CG2' ' CE2' ' A' ' 26' ' ' TYR . 10.3 p -78.92 133.85 29.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.423 ' CG ' ' HB2' ' A' ' 28' ' ' GLU . 42.6 mmtt -109.81 83.73 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -96.2 92.32 6.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 87.4 p -97.36 106.35 18.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -94.45 -158.74 33.51 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.459 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -50.33 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.689 2.259 . . . . 0.0 112.334 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 22.9 t -130.13 147.81 51.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.3 m -147.75 162.0 40.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 -179.952 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.8 p -166.34 129.89 2.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 0.0 110.858 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.5 t -160.09 140.86 12.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.91 -149.7 26.0 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.9 p -148.7 130.71 15.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.873 0.368 . . . . 0.0 110.872 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.2 p -161.34 162.93 31.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.77 -167.62 42.52 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.468 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.78 159.05 2.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.761 0.315 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.0 t -64.67 142.57 58.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.4 mm -68.0 -50.09 62.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.157 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.4 tpp180 -146.96 147.41 30.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.502 HD13 ' H ' ' A' ' 15' ' ' GLU . 4.3 pp -112.14 161.53 16.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -108.17 82.17 1.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.075 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.403 ' O ' ' OE1' ' A' ' 17' ' ' GLU . 21.8 tttp 41.48 48.0 3.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.502 ' H ' HD13 ' A' ' 12' ' ' LEU . 10.3 tt0 -43.2 -28.04 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -43.19 -29.54 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.418 ' HG2' ' N ' ' A' ' 18' ' ' SER . 1.6 pm0 -40.62 -31.29 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.418 ' N ' ' HG2' ' A' ' 17' ' ' GLU . 3.0 t -49.42 -44.63 45.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 20' ' ' ALA . 24.0 tt0 -50.16 -61.15 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 19' ' ' GLN . . . -34.26 -52.38 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 22' ' ' TYR . 30.9 m-20 -63.91 -58.11 7.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.874 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.429 ' C ' ' O ' ' A' ' 21' ' ' ASP . 26.9 t80 -35.28 -40.04 0.13 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.7 mt -82.51 -53.22 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.119 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.9 m -45.63 -42.17 11.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.8 p -38.98 -40.32 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.157 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.585 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 50.5 p90 -129.09 103.19 6.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.414 HG22 ' N ' ' A' ' 28' ' ' GLU . 13.2 p -153.92 154.41 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.141 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.414 ' N ' HG22 ' A' ' 27' ' ' VAL . 9.0 tp10 -134.08 148.19 50.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.51 ' CE3' ' HB3' ' A' ' 48' ' ' LEU . 44.5 m95 -133.15 121.32 22.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.945 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.423 ' HG2' ' CB ' ' A' ' 39' ' ' CYS . 40.7 mt-30 -124.59 154.0 41.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.568 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 14.7 p90 -122.71 147.08 46.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.525 HG13 HG23 ' A' ' 37' ' ' THR . 2.2 mp -100.07 108.42 22.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' A' ' 36' ' ' ILE . 13.9 t70 -73.89 167.8 20.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.509 ' C ' ' O ' ' A' ' 33' ' ' ASP . 33.8 mtpt -29.09 -70.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -123.94 18.7 9.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.522 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.0 mp -132.31 154.23 39.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.525 HG23 HG13 ' A' ' 32' ' ' ILE . 14.2 m -121.89 99.75 6.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.118 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -112.35 175.63 5.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.423 ' CB ' ' HG2' ' A' ' 30' ' ' GLN . 30.1 p -122.36 162.56 21.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 76.1 m-85 -85.69 161.83 19.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -71.58 174.22 6.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.401 ' O ' ' OD1' ' A' ' 45' ' ' ASN . 35.5 pttt -70.68 -24.87 62.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 30.6 mtp -82.74 -28.86 30.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 47' ' ' LYS . 62.2 m -88.46 -44.64 10.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.181 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 42' ' ' LYS . 0.2 OUTLIER -38.06 -41.31 0.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.575 ' O ' HG13 ' A' ' 50' ' ' VAL . 6.6 ptp -73.35 -37.97 65.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 44' ' ' THR . 49.4 mtmt -55.96 -27.28 51.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.51 ' HB3' ' CE3' ' A' ' 29' ' ' TRP . 92.8 mt -87.46 -49.03 7.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.465 ' CG ' ' N ' ' A' ' 50' ' ' VAL . 4.7 pt-20 -58.56 -45.67 88.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.575 HG13 ' O ' ' A' ' 46' ' ' MET . 29.3 m -51.93 -44.47 38.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.489 ' HB1' HD11 ' A' ' 72' ' ' LEU . . . -69.34 -34.17 74.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.598 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 9.4 t90 -74.83 -29.6 61.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.965 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.469 ' HE3' ' CE3' ' A' ' 52' ' ' TRP . 5.6 mmpt? -82.61 -34.34 27.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.837 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.0 12.99 2.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.114 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp 53.0 39.41 29.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -77.84 170.49 16.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -93.15 -36.28 12.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.2 p30 -167.18 153.42 8.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.9 t -131.65 136.18 47.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.7 t -90.07 135.03 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.143 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.6 HG23 HG13 ' A' ' 63' ' ' ILE . 30.0 m -139.83 154.88 24.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.3 mp0 -84.95 103.86 14.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.95 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.6 HG13 HG23 ' A' ' 61' ' ' VAL . 75.3 mt -116.31 114.6 46.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.432 ' ND1' HG22 ' A' ' 63' ' ' ILE . 0.2 OUTLIER 68.27 41.01 1.97 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 62.79 27.07 15.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.478 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 1.5 pt20 -147.16 127.37 13.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -61.85 132.94 54.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.508 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.9 m-85 -129.29 150.86 50.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 58.9 m -99.62 106.95 18.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.487 HG22 ' HB2' ' A' ' 77' ' ' ALA . 66.9 t -93.35 115.78 32.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 75' ' ' ASN . 7.0 t0 -92.81 119.39 32.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.489 HD11 ' HB1' ' A' ' 51' ' ' ALA . 8.7 mt -72.9 -40.73 65.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 t -43.92 -55.33 4.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.422 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 8.9 t -98.92 -18.78 17.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.121 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.422 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.3 m120 70.35 54.8 0.3 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.805 HG23 ' O ' ' A' ' 85' ' ' PHE . 97.8 m -144.76 136.29 25.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.487 ' HB2' HG22 ' A' ' 70' ' ' VAL . . . -92.89 146.28 23.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.689 HG23 HG22 ' A' ' 84' ' ' THR . 14.9 m -147.97 148.98 31.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.096 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.508 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -139.79 153.89 70.37 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.584 0.707 . . . . 0.0 111.072 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 3.31 2.84 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.665 2.244 . . . . 0.0 112.348 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -88.95 -38.2 14.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.954 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.7 34.88 0.62 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.52 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 11.6 mp0 -134.88 135.59 41.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.863 0.363 . . . . 0.0 110.903 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.689 HG22 HG23 ' A' ' 78' ' ' THR . 43.4 p -137.4 144.84 42.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.805 ' O ' HG23 ' A' ' 76' ' ' THR . 0.8 OUTLIER -137.63 174.01 11.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 28.7 m -115.86 123.84 49.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.179 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.6 m -97.42 135.2 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.586 ' HG3' HD11 ' A' ' 90' ' ' LEU . 9.0 pt20 -130.39 133.6 46.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.543 ' C ' HD13 ' A' ' 90' ' ' LEU . 50.0 ttt-85 -96.03 126.0 40.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.792 ' N ' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -115.32 163.39 15.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.589 ' O ' HG13 ' A' ' 91' ' ' VAL . 7.3 p -118.88 106.01 18.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.067 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.5 mmtm -101.95 116.37 32.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -128.6 140.39 51.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.6 t -48.33 -54.26 14.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.832 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 177.78 -105.78 0.2 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 170.04 17.4 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.675 2.25 . . . . 0.0 112.362 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.9 t -55.41 147.91 16.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.8 m -131.34 164.91 24.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.513 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 3' ' ' SER . 9.3 m -107.09 137.78 44.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.937 0.399 . . . . 0.0 110.806 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 2' ' ' SER . 81.4 p 34.68 42.27 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.851 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.3 -80.48 1.27 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.459 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.6 m -42.65 150.12 0.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.829 0.347 . . . . 0.0 110.894 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.2 t -56.25 -51.58 67.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.819 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.66 -150.03 7.6 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -118.9 40.48 3.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.83 0.347 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.1 t -71.05 100.0 1.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.6 pt -151.53 139.97 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.131 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -128.06 98.93 5.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.668 HD13 ' H ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -81.52 169.05 17.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.01 178.23 9.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.083 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 17' ' ' GLU . 22.6 tptt -132.6 125.6 30.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -39.96 -49.04 2.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.936 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 18' ' ' SER . 24.0 mtmm -64.69 -31.21 72.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 14' ' ' LYS . 4.6 tp10 -37.24 -31.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 16' ' ' LYS . 4.0 t -47.72 -49.56 27.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.424 ' O ' ' C ' ' A' ' 20' ' ' ALA . 18.6 pt20 -83.89 -40.28 18.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 19' ' ' GLN . . . -34.94 -60.07 0.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.089 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.494 ' O ' HG23 ' A' ' 25' ' ' THR . 10.0 p-10 -60.75 -44.6 96.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -46.52 -46.29 19.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.936 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.417 ' HB ' ' NZ ' ' A' ' 53' ' ' LYS . 28.9 mt -80.2 -47.56 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.106 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 26' ' ' TYR . 17.3 m -44.76 -46.11 10.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 21' ' ' ASP . 29.4 p -34.6 -32.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.496 ' N ' ' O ' ' A' ' 24' ' ' SER . 3.3 p90 -134.41 105.51 6.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.625 HG11 ' CD ' ' A' ' 49' ' ' GLU . 9.8 p -154.13 157.81 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.132 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -134.63 133.66 40.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.483 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 43.1 m95 -128.38 119.35 24.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.423 ' HG2' ' CB ' ' A' ' 39' ' ' CYS . 48.3 mt-30 -124.63 148.02 48.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 29.6 p90 -116.64 142.54 46.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.547 HG13 HG23 ' A' ' 37' ' ' THR . 2.1 mp -96.32 107.25 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.189 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' A' ' 36' ' ' ILE . 6.2 t70 -73.62 167.5 21.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.511 ' C ' ' O ' ' A' ' 33' ' ' ASP . 11.3 mmmt -29.18 -72.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -122.19 17.92 10.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' A' ' 33' ' ' ASP . 3.2 mp -132.27 151.94 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.547 HG23 HG13 ' A' ' 32' ' ' ILE . 17.3 m -120.13 97.81 5.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -114.76 179.1 4.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.423 ' CB ' ' HG2' ' A' ' 30' ' ' GLN . 27.3 p -124.7 161.06 27.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 31' ' ' TYR . 98.2 m-85 -75.79 179.13 5.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.77 169.5 14.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -66.17 -15.95 63.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 62.4 mtm -92.26 -38.81 11.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 47' ' ' LYS . 99.2 m -78.45 -43.01 28.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -37.95 -39.63 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.741 ' O ' HG22 ' A' ' 50' ' ' VAL . 7.1 ptp -79.66 -37.7 35.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 44' ' ' THR . 45.3 mttm -54.51 -20.28 7.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.527 HD23 ' CG2' ' A' ' 59' ' ' THR . 69.3 mt -93.76 -59.61 1.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.625 ' CD ' HG11 ' A' ' 27' ' ' VAL . 6.6 pt-20 -47.76 -42.8 26.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.741 HG22 ' O ' ' A' ' 46' ' ' MET . 20.6 m -58.38 -37.62 64.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.48 -30.99 57.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.095 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.539 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 10.0 t90 -75.38 -32.5 60.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.417 ' NZ ' ' HB ' ' A' ' 23' ' ' ILE . 6.4 mmmm -87.04 -30.72 20.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.69 7.93 4.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt 59.81 41.26 18.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.4 mmtm -85.81 165.42 16.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.19 -37.94 14.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.0 p30 -167.8 154.24 7.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.527 ' CG2' HD23 ' A' ' 48' ' ' LEU . 3.6 t -131.21 132.87 44.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 68' ' ' PHE . 53.9 t -88.79 133.92 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.104 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.577 HG23 HG13 ' A' ' 63' ' ' ILE . 33.5 m -137.21 154.49 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -82.13 104.99 12.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.577 HG13 HG23 ' A' ' 61' ' ' VAL . 85.5 mt -117.99 119.72 62.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.106 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 64.36 38.6 7.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.1 m120 64.37 27.2 13.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.485 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.3 pt20 -147.18 129.08 15.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.953 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.81 132.92 54.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.59 ' CZ ' ' CB ' ' A' ' 79' ' ' ALA . 4.1 m-85 -130.03 151.19 50.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 32.6 m -99.85 108.65 20.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.451 HG22 ' HB2' ' A' ' 77' ' ' ALA . 81.8 t -95.5 112.31 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 75' ' ' ASN . 2.9 t70 -90.26 119.38 30.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.499 HD22 ' HB2' ' A' ' 52' ' ' TRP . 6.3 mt -72.43 -41.03 66.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.9 t -42.33 -51.2 4.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.447 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 8.9 t -103.77 -20.27 14.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.164 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.447 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.4 m120 72.47 52.92 0.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.795 HG23 ' O ' ' A' ' 85' ' ' PHE . 95.8 m -142.42 135.69 28.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.451 ' HB2' HG22 ' A' ' 70' ' ' VAL . . . -93.76 146.71 23.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.115 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.474 HG23 HG22 ' A' ' 84' ' ' THR . 45.4 m -145.02 157.3 44.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.59 ' CB ' ' CZ ' ' A' ' 68' ' ' PHE . . . -147.51 152.49 42.02 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.583 0.706 . . . . 0.0 111.056 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 3.33 2.84 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.685 2.256 . . . . 0.0 112.323 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -89.48 -39.2 13.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 127.01 34.39 0.59 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.521 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 12.2 mp0 -133.98 134.84 42.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.908 0.385 . . . . 0.0 110.904 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.474 HG22 HG23 ' A' ' 78' ' ' THR . 44.7 p -135.99 139.05 42.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.795 ' O ' HG23 ' A' ' 76' ' ' THR . 1.0 OUTLIER -130.36 174.17 10.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.6 m -119.25 124.21 46.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.151 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.7 m -97.69 137.39 25.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.09 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.559 ' HG3' HD11 ' A' ' 90' ' ' LEU . 10.8 pt20 -126.61 144.03 51.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.483 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 55.3 ttt-85 -104.02 129.21 51.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.559 HD11 ' HG3' ' A' ' 88' ' ' GLN . 0.8 OUTLIER -132.98 130.41 39.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.938 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.0 p -83.91 139.34 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.1 mmtm -118.23 143.09 46.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -99.83 97.64 8.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.092 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 91.9 p -76.95 124.46 27.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.831 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 162.3 -63.57 0.27 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -174.46 0.9 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.9 t -90.57 -60.84 1.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 97.2 p -159.01 113.64 2.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.475 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.429 -0.269 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.2 m -126.22 149.04 49.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.881 0.372 . . . . 0.0 110.816 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 m -68.26 157.42 35.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.72 -151.2 8.5 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.5 p -75.44 107.49 7.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.363 . . . . 0.0 110.838 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -57.49 -49.4 76.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.33 48.53 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.46 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.77 171.34 9.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.778 0.323 . . . . 0.0 110.937 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.4 p -49.65 163.44 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.71 ' O ' HG23 ' A' ' 10' ' ' ILE . 5.1 tp -74.91 88.13 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.184 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.486 ' C ' HD12 ' A' ' 12' ' ' LEU . 7.6 ttt180 -54.44 -56.01 23.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.486 HD12 ' C ' ' A' ' 11' ' ' ARG . 5.4 mp -141.82 172.86 12.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.39 163.78 3.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.401 ' CD ' ' HB2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -175.21 164.72 3.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -80.88 -36.68 30.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HB2' ' CD ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -47.89 -24.39 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -40.56 -32.4 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.9 m -40.65 -38.98 0.97 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -66.36 -44.51 83.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.593 ' HA ' HD12 ' A' ' 23' ' ' ILE . . . -47.94 -44.76 30.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.04 -37.56 81.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.567 ' O ' HG22 ' A' ' 25' ' ' THR . 11.4 t80 -59.53 -19.23 46.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.593 HD12 ' HA ' ' A' ' 20' ' ' ALA . 18.4 mt -85.09 -57.59 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.167 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 26' ' ' TYR . 75.1 m -61.86 -39.25 91.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.83 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.567 HG22 ' O ' ' A' ' 22' ' ' TYR . 9.4 t -33.81 -35.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.131 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.528 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 38.1 p90 -123.06 102.96 8.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.452 HG22 ' N ' ' A' ' 28' ' ' GLU . 11.0 p -154.07 157.99 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.1 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.452 ' N ' HG22 ' A' ' 27' ' ' VAL . 4.0 tp10 -129.58 134.43 47.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.533 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 45.3 m95 -130.89 118.28 20.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -122.59 152.45 40.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.552 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 25.6 p90 -119.89 138.66 53.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.961 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.574 HG13 HG23 ' A' ' 37' ' ' THR . 2.2 mp -93.45 106.54 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.522 ' OD2' HD13 ' A' ' 36' ' ' ILE . 28.5 t70 -73.67 167.62 21.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.517 ' C ' ' O ' ' A' ' 33' ' ' ASP . 21.7 mtpt -28.41 -73.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -122.42 18.76 10.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.522 HD13 ' OD2' ' A' ' 33' ' ' ASP . 3.0 mp -132.26 148.3 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.574 HG23 HG13 ' A' ' 32' ' ' ILE . 13.1 m -118.06 98.08 6.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.111 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -110.94 177.09 4.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.5 p -124.3 159.54 30.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.552 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 64.7 m-85 -81.84 162.0 22.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -69.91 177.51 3.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -71.75 -28.49 63.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.41 ' HG3' ' N ' ' A' ' 44' ' ' THR . 19.2 ptp -79.24 -44.29 22.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.41 ' N ' ' HG3' ' A' ' 43' ' ' MET . 91.2 m -73.4 -37.4 65.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -41.58 -46.77 3.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.558 ' O ' HG13 ' A' ' 50' ' ' VAL . 9.1 ptp -74.49 -38.03 62.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -50.06 -22.99 1.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.7 mt -96.05 -49.77 5.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -55.03 -36.5 65.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.919 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 46' ' ' MET . 35.9 m -60.38 -43.42 93.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.114 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.468 ' N ' HG23 ' A' ' 50' ' ' VAL . . . -68.07 -32.99 73.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.595 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 8.4 t90 -73.64 -30.44 62.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.44 ' HG3' ' HG ' ' A' ' 24' ' ' SER . 5.6 mmpt? -85.17 -31.24 23.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.91 10.55 3.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt 57.77 37.06 27.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -81.39 167.62 19.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -95.25 -34.66 12.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -164.55 150.01 10.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.412 ' HB ' ' CB ' ' A' ' 51' ' ' ALA . 4.9 t -127.31 140.66 52.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.16 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.0 t -93.96 134.1 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.413 HG23 HG13 ' A' ' 63' ' ' ILE . 29.8 m -140.52 151.54 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.165 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -81.29 107.36 14.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.469 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 85.2 mt -119.48 124.65 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 15.9 m170 62.45 31.09 17.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.6 m120 70.99 27.68 3.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.469 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.4 pt20 -146.89 133.79 20.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.1 130.49 45.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.669 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.8 m-85 -129.35 152.58 48.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.6 m -105.3 109.56 21.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.571 HG22 ' HB2' ' A' ' 77' ' ' ALA . 53.3 t -95.29 111.4 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 75' ' ' ASN . 11.6 t70 -88.36 116.32 26.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.5 mt -70.33 -41.59 73.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.8 m -43.55 -51.86 6.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.44 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 9.7 t -102.74 -16.22 16.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.167 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.7 OUTLIER 67.47 54.1 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.751 HG23 ' O ' ' A' ' 85' ' ' PHE . 89.9 m -143.24 135.11 26.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.571 ' HB2' HG22 ' A' ' 70' ' ' VAL . . . -92.94 147.59 22.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.665 HG23 HG22 ' A' ' 84' ' ' THR . 10.6 m -149.05 147.31 28.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.669 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -138.52 153.21 72.36 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.565 0.697 . . . . 0.0 111.107 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 2.75 3.24 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.37 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 -87.4 -35.8 18.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.446 ' C ' ' OE1' ' A' ' 83' ' ' GLN . . . 123.65 35.74 0.67 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.479 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.446 ' OE1' ' C ' ' A' ' 82' ' ' GLY . 7.6 mp0 -136.33 141.87 43.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 0.0 110.904 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.665 HG22 HG23 ' A' ' 78' ' ' THR . 25.3 p -141.4 144.51 34.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.751 ' O ' HG23 ' A' ' 76' ' ' THR . 1.0 OUTLIER -136.69 175.18 9.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.9 m -119.49 124.48 46.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.148 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.5 m -97.09 137.79 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.694 ' HG3' HD11 ' A' ' 90' ' ' LEU . 12.7 pt20 -128.88 139.53 52.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.533 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 51.6 ttt-85 -99.32 129.7 45.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.694 HD11 ' HG3' ' A' ' 88' ' ' GLN . 0.9 OUTLIER -135.0 127.54 30.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.6 t -83.17 119.0 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.417 ' CG ' ' HB2' ' A' ' 28' ' ' GLU . 18.5 mmtp -96.17 81.6 3.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -106.99 82.56 1.7 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.9 t -91.42 136.6 32.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 168.49 73.9 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.524 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -33.07 17.52 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.736 2.291 . . . . 0.0 112.366 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 87.7 p -131.77 177.16 7.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.1 m -117.67 -54.0 2.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.845 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.462 -179.953 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.4 p 41.15 41.7 1.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.924 0.392 . . . . 0.0 110.889 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 t -108.66 155.37 20.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.86 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.81 113.84 3.71 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.469 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 6' ' ' SER . 49.6 p -127.08 -36.74 2.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.36 . . . . 0.0 110.823 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 5' ' ' SER . 43.4 m 34.47 43.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.71 -126.72 7.55 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.447 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -106.69 92.13 3.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.328 . . . . 0.0 110.853 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.4 p -66.29 121.31 14.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.1 mt -103.22 126.71 57.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.139 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.34 151.38 19.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.6 mp -100.98 -57.97 1.98 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.54 -39.61 4.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.091 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt 67.91 42.44 1.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -83.38 -46.07 12.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.4 pttp -40.59 -28.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -37.84 -36.61 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.8 p -45.41 -46.8 13.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -69.55 -50.67 42.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.418 ' CB ' ' HE2' ' A' ' 53' ' ' LYS . . . -41.93 -66.33 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -44.99 -45.9 10.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -49.71 -34.67 19.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 25' ' ' THR . 17.7 mt -94.57 -59.79 2.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.16 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.471 ' O ' ' C ' ' A' ' 25' ' ' THR . 8.8 m -33.18 -35.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.622 HG23 ' CD2' ' A' ' 26' ' ' TYR . 2.0 t -31.92 -42.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.164 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.622 ' CD2' HG23 ' A' ' 25' ' ' THR . 0.2 OUTLIER -123.14 102.98 8.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.938 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.728 HG11 ' CD ' ' A' ' 49' ' ' GLU . 12.0 p -153.78 151.49 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.105 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -130.23 137.06 49.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.436 ' CZ2' ' HA ' ' A' ' 49' ' ' GLU . 50.1 m95 -129.62 112.48 13.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.932 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.418 ' HG2' ' CB ' ' A' ' 39' ' ' CYS . 49.4 mt-30 -120.83 151.96 38.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.569 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 22.8 p90 -117.66 140.48 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.608 HG13 HG23 ' A' ' 37' ' ' THR . 2.3 mp -95.74 106.17 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.101 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.516 ' O ' ' C ' ' A' ' 34' ' ' LYS . 28.5 t0 -73.8 167.84 20.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.516 ' C ' ' O ' ' A' ' 33' ' ' ASP . 19.7 mtpp -27.91 -74.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -121.27 18.04 11.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.508 ' O ' ' N ' ' A' ' 33' ' ' ASP . 3.5 mp -132.25 147.16 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.608 HG23 HG13 ' A' ' 32' ' ' ILE . 15.7 m -116.62 100.97 8.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -114.94 173.44 6.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.418 ' CB ' ' HG2' ' A' ' 30' ' ' GLN . 30.8 p -121.6 158.03 29.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 83.3 m-85 -77.82 178.21 7.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.441 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 10.6 t70 -82.11 179.51 7.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.852 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.0 pttt -71.2 -34.2 70.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.439 ' HA ' ' CE ' ' A' ' 46' ' ' MET . 9.5 mmt -78.29 -42.02 32.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 92.0 m -76.55 -39.8 51.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 41' ' ' ASP . 0.9 OUTLIER -45.45 -41.08 9.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.529 ' O ' HG22 ' A' ' 50' ' ' VAL . 5.5 ptp -79.03 -42.13 27.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.407 ' N ' ' CG ' ' A' ' 46' ' ' MET . 30.9 mttm -45.28 -24.6 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.416 HD22 HG11 ' A' ' 70' ' ' VAL . 33.4 mt -87.69 -50.7 6.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.728 ' CD ' HG11 ' A' ' 27' ' ' VAL . 4.9 pt-20 -55.14 -45.82 75.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.529 HG22 ' O ' ' A' ' 46' ' ' MET . 13.2 m -53.67 -33.4 22.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.463 ' HB1' HD11 ' A' ' 72' ' ' LEU . . . -79.68 -31.31 41.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.603 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 9.8 t90 -72.79 -28.85 62.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.418 ' HE2' ' CB ' ' A' ' 20' ' ' ALA . 6.2 mmmm -90.07 -29.89 18.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.56 12.53 2.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.039 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt 54.86 40.9 32.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -79.63 170.09 17.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.5 tptp -101.41 -32.44 10.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.839 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -174.3 140.93 0.69 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.7 t -120.39 140.11 51.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.7 t -92.5 137.32 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 30.0 m -143.46 153.11 16.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -82.2 108.38 15.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.482 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 67.3 mt -120.59 110.53 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.445 ' ND1' ' CG2' ' A' ' 63' ' ' ILE . 0.2 OUTLIER 72.0 40.4 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 179.876 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 62.93 28.74 16.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 3.3 pt20 -147.19 132.54 18.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -63.93 130.56 44.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.67 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.8 m-85 -129.32 153.69 47.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.3 m -106.34 109.96 22.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.416 HG11 HD22 ' A' ' 48' ' ' LEU . 84.1 t -94.09 109.51 22.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -86.58 119.38 26.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.463 HD11 ' HB1' ' A' ' 51' ' ' ALA . 10.3 mt -73.22 -40.91 64.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.9 t -43.39 -54.85 4.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.447 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 12.9 t -99.66 -19.39 16.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.187 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.447 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.2 m120 71.5 50.74 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.818 HG23 ' O ' ' A' ' 85' ' ' PHE . 97.8 m -140.26 135.8 32.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.404 ' HB3' ' HD2' ' A' ' 85' ' ' PHE . . . -92.82 146.19 23.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.762 HG23 HG22 ' A' ' 84' ' ' THR . 8.3 m -147.41 147.63 30.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.67 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -138.67 153.36 72.22 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.636 0.732 . . . . 0.0 111.074 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 3.26 2.88 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.648 2.232 . . . . 0.0 112.375 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.1 mm-40 -87.84 -37.23 16.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.02 36.1 0.6 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.525 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -136.92 139.44 41.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.914 0.388 . . . . 0.0 110.929 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.762 HG22 HG23 ' A' ' 78' ' ' THR . 30.5 p -140.27 141.0 35.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.818 ' O ' HG23 ' A' ' 76' ' ' THR . 0.7 OUTLIER -133.39 174.21 10.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 91.6 m -117.81 123.74 46.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.41 HG22 ' C ' ' A' ' 75' ' ' ASN . 3.2 m -97.03 137.58 24.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.161 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -125.99 139.31 53.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.417 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 68.0 ttt-85 -106.27 126.23 51.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.59 138.43 54.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.0 t -91.59 103.24 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.489 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 6.9 mmmm -86.75 162.81 17.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 92' ' ' LYS . . . 70.68 40.29 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.3 t -174.99 130.8 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.858 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -170.02 142.45 7.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.47 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 153.7 68.6 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.705 2.27 . . . . 0.0 112.357 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.9 t 49.71 42.91 24.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.4 t -118.95 83.55 2.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.0 p -147.96 133.17 18.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.947 0.403 . . . . 0.0 110.848 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 4' ' ' GLY . 12.3 m -112.77 88.0 2.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.868 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -35.81 -87.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.0 m -139.19 152.88 47.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.924 0.393 . . . . 0.0 110.815 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.0 t -166.54 161.96 16.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.904 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.73 134.48 5.01 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.461 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.51 162.89 13.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.792 0.329 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 t -93.99 158.5 15.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.5 pt -83.31 145.92 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.13 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 58.1 mtt-85 -104.38 165.63 10.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.3 mt -106.42 40.95 1.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -132.96 155.3 49.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -80.23 134.99 36.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -67.96 -38.29 82.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' A' ' 18' ' ' SER . 0.9 OUTLIER -44.72 -30.47 0.95 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 16' ' ' LYS . 6.4 tm-20 -38.03 -28.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 16' ' ' LYS . 4.1 t -46.78 -45.15 19.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 20' ' ' ALA . 10.2 pt20 -76.21 -41.91 47.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 19' ' ' GLN . . . -34.4 -64.49 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 23' ' ' ILE . 6.6 p-10 -63.67 -53.82 45.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.501 ' CE1' ' OH ' ' A' ' 26' ' ' TYR . 28.0 t80 -35.94 -31.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 21' ' ' ASP . 53.8 mt -85.7 -65.53 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.108 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 23' ' ' ILE . 47.0 m -34.67 -42.88 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 24' ' ' SER . 14.2 p -34.43 -54.59 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.164 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.501 ' OH ' ' CE1' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -117.54 102.82 9.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.937 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.405 ' O ' HG13 ' A' ' 27' ' ' VAL . 12.3 p -154.33 129.51 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.169 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.457 ' O ' ' CD1' ' A' ' 90' ' ' LEU . 9.7 tp10 -125.99 113.22 16.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.454 ' NE1' ' HB3' ' A' ' 49' ' ' GLU . 33.2 m95 -97.84 124.44 42.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -125.01 155.9 38.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 12.7 p90 -122.58 140.63 52.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.506 HG13 HG23 ' A' ' 37' ' ' THR . 1.9 mp -92.98 108.85 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.146 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' A' ' 36' ' ' ILE . 20.8 t70 -73.8 167.62 21.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 33' ' ' ASP . 4.9 mmmm -30.83 -70.67 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -122.49 16.84 10.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.54 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.9 mp -132.28 154.1 39.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.506 HG23 HG13 ' A' ' 32' ' ' ILE . 19.6 m -120.82 98.89 6.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.187 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -109.61 177.38 4.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.5 m -121.38 162.72 19.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.589 ' CD2' ' CD1' ' A' ' 48' ' ' LEU . 46.5 m-85 -80.4 174.19 11.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -83.25 179.28 7.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 43' ' ' MET . 28.5 pttt -69.85 -34.99 74.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.458 ' HG3' ' N ' ' A' ' 44' ' ' THR . 20.4 ptp -79.09 -40.21 31.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.458 ' N ' ' HG3' ' A' ' 43' ' ' MET . 24.6 m -74.11 -35.08 64.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.18 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -46.52 -45.39 18.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.582 ' O ' HG22 ' A' ' 50' ' ' VAL . 10.6 ptp -77.02 -39.07 51.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.0 mttm -49.29 -26.06 2.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.589 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 19.4 mt -91.53 -57.99 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.955 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.454 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 0.3 OUTLIER -49.44 -37.69 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.604 HG23 ' N ' ' A' ' 51' ' ' ALA . 33.1 m -62.82 -51.11 76.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.604 ' N ' HG23 ' A' ' 50' ' ' VAL . . . -60.89 -32.27 71.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.054 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.547 ' CE3' ' NH1' ' A' ' 89' ' ' ARG . 11.2 t90 -71.47 -36.39 71.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.418 ' NZ ' ' O ' ' A' ' 20' ' ' ALA . 4.9 mmmm -80.79 -33.19 35.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.8 4.21 6.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.074 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.6 mttt 62.54 41.4 9.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -80.61 173.84 12.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.6 tppt? -104.27 -29.89 10.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -172.34 138.16 0.92 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.568 HG21 HD23 ' A' ' 48' ' ' LEU . 9.1 t -116.02 133.16 56.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.5 t -87.88 135.0 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.186 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.559 HG23 HG13 ' A' ' 63' ' ' ILE . 30.1 m -143.17 149.56 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -79.67 102.3 8.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.559 HG13 HG23 ' A' ' 61' ' ' VAL . 89.0 mt -115.07 126.51 72.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.1 m80 62.4 34.33 15.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.7 m120 66.79 27.82 9.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.484 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 4.7 pt20 -147.11 134.59 20.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -62.17 130.36 45.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.691 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.5 m-85 -129.18 164.93 22.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.8 m -115.85 109.51 17.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.539 HG11 HD22 ' A' ' 48' ' ' LEU . 56.1 t -90.83 105.0 15.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.133 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 75' ' ' ASN . 1.9 t70 -81.89 119.59 24.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 52' ' ' TRP . 15.0 mt -80.05 -39.4 29.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 m -44.28 -32.9 1.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.8 t -127.11 -13.46 5.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 71' ' ' ASP . 2.9 m-20 69.47 54.87 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.708 HG23 ' O ' ' A' ' 85' ' ' PHE . 98.7 m -141.91 135.57 29.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.158 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -95.03 149.35 21.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.095 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.716 HG23 HG22 ' A' ' 84' ' ' THR . 8.5 m -151.07 148.33 28.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.691 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -139.37 152.93 70.31 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 0.0 111.083 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 2.05 3.87 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.679 2.252 . . . . 0.0 112.363 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 64.9 mm-40 -86.22 -35.7 19.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.943 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 123.47 33.03 0.84 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -133.82 136.26 44.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.918 0.389 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.716 HG22 HG23 ' A' ' 78' ' ' THR . 32.1 p -134.66 142.49 46.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.708 ' O ' HG23 ' A' ' 76' ' ' THR . 0.8 OUTLIER -135.06 175.4 9.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.828 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 92.1 m -124.33 125.83 44.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.161 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.556 HG12 ' HE2' ' A' ' 40' ' ' PHE . 2.7 m -99.53 140.9 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -132.63 135.41 45.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.547 ' NH1' ' CE3' ' A' ' 52' ' ' TRP . 34.9 ttt180 -89.09 130.98 35.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.465 ' N ' HD12 ' A' ' 90' ' ' LEU . 0.3 OUTLIER -136.4 142.14 43.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.4 ' O ' HG13 ' A' ' 91' ' ' VAL . 12.3 p -101.5 129.55 52.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -84.6 88.2 7.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -124.59 155.85 38.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 35.8 t -115.8 111.08 19.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -130.32 -94.73 0.71 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 151.84 68.81 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.707 2.271 . . . . 0.0 112.284 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 18.8 m -109.28 -46.47 3.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.0 t -52.3 132.64 34.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.9 p -110.47 -45.12 3.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.866 0.365 . . . . 0.0 110.867 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.8 p -143.92 122.71 12.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.51 72.47 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.498 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t -155.48 139.07 15.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.907 0.384 . . . . 0.0 110.824 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.3 t -98.1 124.03 42.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.85 -61.48 5.23 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.484 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.425 ' HD2' ' C ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -93.88 166.77 12.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.787 0.327 . . . . 0.0 110.905 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.7 p -174.68 156.54 2.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.832 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.719 ' O ' HD13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -63.61 149.44 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.905 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -101.36 -44.17 5.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 mp -75.54 87.72 2.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -166.22 -175.93 3.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.075 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.15 35.2 3.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -60.91 -46.63 89.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -41.27 -27.66 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -40.26 -34.86 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.4 t -49.14 -45.54 43.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -55.76 -46.32 77.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.31 -59.62 4.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.059 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 22' ' ' TYR . 27.6 t70 -60.77 -55.81 28.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.432 ' C ' ' O ' ' A' ' 21' ' ' ASP . 12.2 t80 -35.44 -36.26 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.409 ' N ' ' O ' ' A' ' 21' ' ' ASP . 19.5 mt -87.45 -51.63 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.098 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 26' ' ' TYR . 3.2 m -47.41 -42.34 21.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 24' ' ' SER . 12.3 p -34.79 -34.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.162 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.574 ' O ' ' CD1' ' A' ' 26' ' ' TYR . 46.1 p90 -126.53 102.97 7.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.466 HG11 ' OE1' ' A' ' 49' ' ' GLU . 10.0 p -152.96 157.12 4.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.087 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -134.54 122.93 23.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.52 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 37.8 m95 -118.24 126.64 52.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -127.73 155.58 43.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.564 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 34.6 p90 -122.04 138.15 54.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.989 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.489 HD12 ' OE1' ' A' ' 88' ' ' GLN . 2.1 mp -90.89 106.79 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' A' ' 36' ' ' ILE . 19.7 t70 -73.48 167.83 20.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.515 ' C ' ' O ' ' A' ' 33' ' ' ASP . 4.4 mtpm? -28.66 -73.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.403 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 32.7 t30 -121.65 17.09 11.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.522 ' O ' ' N ' ' A' ' 33' ' ' ASP . 3.1 mp -132.18 148.29 32.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.472 HG23 HG13 ' A' ' 32' ' ' ILE . 26.1 m -116.61 99.64 7.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.165 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -111.69 172.77 6.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.5 p -117.51 167.37 11.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 55.2 m-85 -90.24 168.64 11.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -81.36 172.98 12.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.29 -19.22 63.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 17.8 mtm -85.7 -29.99 23.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 47' ' ' LYS . 17.9 m -89.12 -48.25 7.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.171 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.444 ' ND2' ' C ' ' A' ' 45' ' ' ASN . 0.1 OUTLIER -35.0 -36.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.716 ' O ' HG22 ' A' ' 50' ' ' VAL . 6.9 ptp -76.8 -45.36 29.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.833 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 44' ' ' THR . 42.4 mtmt -49.91 -23.05 1.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.588 ' HA ' HG21 ' A' ' 59' ' ' THR . 19.4 mt -92.35 -65.24 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.466 ' OE1' HG11 ' A' ' 27' ' ' VAL . 6.1 pt-20 -43.45 -42.01 4.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.716 HG22 ' O ' ' A' ' 46' ' ' MET . 22.0 m -55.61 -39.35 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.562 ' CB ' HD11 ' A' ' 72' ' ' LEU . . . -74.97 -31.84 61.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.067 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.551 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 9.8 t90 -74.34 -31.6 62.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.1 mmmt -89.38 -26.08 21.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.47 13.93 5.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm 53.76 39.02 29.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.7 mmtm -85.0 164.1 18.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.841 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -88.47 -35.34 17.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.6 p30 -170.49 154.1 4.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.588 HG21 ' HA ' ' A' ' 48' ' ' LEU . 3.9 t -128.43 133.99 48.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.7 t -85.79 135.27 25.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.176 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 18.4 m -141.62 147.84 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.2 mp0 -78.43 108.39 11.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.475 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 71.5 mt -121.38 124.65 72.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 18.1 m170 62.55 34.48 15.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.7 m120 67.16 28.03 8.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.475 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.4 pt20 -147.09 133.34 19.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -62.03 131.4 49.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.647 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.7 m-85 -129.48 156.97 43.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.4 m -109.22 108.49 19.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.442 HG11 HD22 ' A' ' 48' ' ' LEU . 80.8 t -92.31 112.2 25.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -90.19 123.99 34.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.562 HD11 ' CB ' ' A' ' 51' ' ' ALA . 7.5 mt -80.56 -31.17 36.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.9 t -46.1 -42.21 13.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.9 t -121.1 -11.88 8.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.175 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.456 ' HB3' HG23 ' A' ' 87' ' ' VAL . 2.5 m-20 70.77 54.97 0.26 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.827 HG23 ' O ' ' A' ' 85' ' ' PHE . 93.5 m -141.88 136.44 30.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.144 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -95.17 148.58 22.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.091 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.807 HG23 HG22 ' A' ' 84' ' ' THR . 11.3 m -148.43 148.8 30.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.647 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -139.31 152.87 70.31 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.541 0.686 . . . . 0.0 111.111 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 2.36 3.58 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.356 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -86.98 -36.1 18.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.413 ' C ' ' OE1' ' A' ' 83' ' ' GLN . . . 123.73 34.23 0.76 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.513 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.413 ' OE1' ' C ' ' A' ' 82' ' ' GLY . 11.4 mp0 -136.56 135.26 38.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.917 0.389 . . . . 0.0 110.872 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.807 HG22 HG23 ' A' ' 78' ' ' THR . 31.3 p -136.37 142.55 43.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.827 ' O ' HG23 ' A' ' 76' ' ' THR . 0.7 OUTLIER -133.38 175.44 9.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.3 m -120.9 125.35 47.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.475 HG12 ' HE2' ' A' ' 40' ' ' PHE . 1.8 m -96.87 139.15 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.159 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.489 ' OE1' HD12 ' A' ' 32' ' ' ILE . 17.5 pm0 -125.49 138.55 53.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.52 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 54.1 ttt-85 -98.36 126.41 43.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.486 ' N ' HD12 ' A' ' 90' ' ' LEU . 1.9 mp -135.21 130.92 36.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.9 p -87.84 142.17 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.4 mmtm -130.75 122.57 27.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -163.65 136.37 5.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.139 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.2 p -47.12 106.62 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.828 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -131.58 -166.83 11.75 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.482 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -49.43 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.348 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 38.2 t -71.22 133.63 46.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 93.4 p -66.69 108.7 2.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.462 179.955 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.3 p -154.83 149.9 26.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.903 0.383 . . . . 0.0 110.851 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 t -140.04 160.32 40.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.801 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.98 -48.5 7.66 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 6' ' ' SER . 96.7 p 39.57 42.34 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.929 0.395 . . . . 0.0 110.91 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 5' ' ' SER . 84.5 p 36.17 44.18 0.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.36 144.79 17.12 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.531 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -157.81 158.18 34.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.822 0.344 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 10' ' ' ILE . 73.7 m -120.76 145.8 47.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.697 ' H ' HD12 ' A' ' 10' ' ' ILE . 5.3 mp -33.77 138.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.095 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.465 ' N ' ' HD2' ' A' ' 11' ' ' ARG . 3.1 mpt_? -85.68 95.75 9.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -145.6 137.62 25.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.81 170.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.092 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.487 ' HD2' ' N ' ' A' ' 15' ' ' GLU . 1.1 tmmm? -166.99 153.03 8.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.487 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 3.7 pt-20 -40.52 -28.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -41.09 -26.85 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 15' ' ' GLU . 31.8 tt0 -37.09 -38.04 0.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.1 t -46.36 -47.81 18.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -75.56 -50.26 16.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.36 -57.95 3.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.94 -48.97 79.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.456 ' O ' ' CE2' ' A' ' 26' ' ' TYR . 16.6 t80 -42.95 -43.65 4.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.97 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.421 ' HA ' ' CZ ' ' A' ' 26' ' ' TYR . 43.9 mt -71.31 -61.81 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.141 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 25' ' ' THR . 73.3 m -39.45 -47.47 1.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 24' ' ' SER . 0.2 OUTLIER -32.96 -44.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.171 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.464 ' O ' ' CD1' ' A' ' 26' ' ' TYR . 22.3 p90 -117.49 102.98 9.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.962 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.0 p -151.53 153.9 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.527 ' O ' HD12 ' A' ' 90' ' ' LEU . 3.2 tp10 -137.49 115.26 11.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.536 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 42.7 m95 -106.7 123.23 47.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -128.53 150.53 50.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 32.1 p90 -116.5 144.3 44.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.597 HG13 HG23 ' A' ' 37' ' ' THR . 2.3 mp -99.64 105.53 17.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.148 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 36' ' ' ILE . 18.9 t70 -73.44 167.77 20.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.51 ' C ' ' O ' ' A' ' 33' ' ' ASP . 12.2 mmmt -28.72 -73.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.407 ' H ' HD12 ' A' ' 36' ' ' ILE . 8.6 t-20 -121.87 18.52 11.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.527 ' O ' ' N ' ' A' ' 33' ' ' ASP . 2.2 mp -132.14 146.22 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.138 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.597 HG23 HG13 ' A' ' 32' ' ' ILE . 17.8 m -117.48 97.75 6.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -110.94 179.15 4.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.3 p -122.3 164.91 17.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 31' ' ' TYR . 81.2 m-85 -84.82 162.38 19.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -67.81 179.16 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -73.25 -35.84 66.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.8 mtp -75.54 -38.81 59.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 90.0 m -75.77 -39.35 57.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.448 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 4.2 t-20 -39.35 -48.44 1.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.821 ' O ' HG22 ' A' ' 50' ' ' VAL . 7.6 ptp -73.3 -39.69 65.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.5 mttm -48.32 -22.56 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.5 HD22 HG11 ' A' ' 70' ' ' VAL . 62.5 mt -92.74 -57.13 2.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -50.22 -41.09 49.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.821 HG22 ' O ' ' A' ' 46' ' ' MET . 10.8 m -58.2 -35.15 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.672 ' HB1' HD11 ' A' ' 72' ' ' LEU . . . -77.46 -30.76 53.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.051 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.533 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 10.2 t90 -76.5 -32.34 58.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt -85.68 -31.39 22.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.75 14.97 1.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.1 mtmm 51.47 38.47 22.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp -81.14 163.28 23.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.62 -35.46 18.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.5 p30 -172.43 153.44 2.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.2 t -128.68 136.8 51.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.135 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.0 t -87.63 139.5 17.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.578 HG23 HG13 ' A' ' 63' ' ' ILE . 33.1 m -144.6 153.97 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -84.42 103.95 14.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.578 HG13 HG23 ' A' ' 61' ' ' VAL . 78.6 mt -117.22 123.25 71.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 63.5 37.43 10.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 64.6 27.67 13.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.474 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.7 pt20 -147.11 132.54 18.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.01 131.51 49.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.679 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.6 m-85 -129.34 156.26 44.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 48.1 m -107.08 109.02 20.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.079 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.5 HG11 HD22 ' A' ' 48' ' ' LEU . 69.4 t -92.77 113.7 28.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.086 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -92.68 120.29 32.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.81 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.672 HD11 ' HB1' ' A' ' 51' ' ' ALA . 6.9 mt -74.31 -41.41 61.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.4 t -44.14 -55.53 4.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.817 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.45 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 9.0 t -97.55 -20.88 17.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.156 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.45 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.3 m120 71.67 49.8 0.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.782 HG23 ' O ' ' A' ' 85' ' ' PHE . 97.6 m -140.12 136.17 33.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.407 ' HB3' ' HD2' ' A' ' 85' ' ' PHE . . . -93.02 145.44 24.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.703 HG23 HG22 ' A' ' 84' ' ' THR . 9.0 m -146.58 149.7 34.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.679 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -141.41 153.31 65.71 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.604 0.716 . . . . 0.0 111.078 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 3.12 2.95 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.723 2.282 . . . . 0.0 112.329 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 -88.03 -36.21 17.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 123.7 33.54 0.8 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -134.02 139.75 46.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.92 0.391 . . . . 0.0 110.867 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.703 HG22 HG23 ' A' ' 78' ' ' THR . 31.4 p -140.31 143.07 35.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.782 ' O ' HG23 ' A' ' 76' ' ' THR . 0.8 OUTLIER -135.06 175.16 9.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.2 m -118.55 124.25 47.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.095 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.421 HG22 ' C ' ' A' ' 75' ' ' ASN . 3.0 m -97.08 136.16 28.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.464 ' HG3' HD11 ' A' ' 90' ' ' LEU . 13.8 pt20 -127.21 137.08 52.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.536 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 64.0 ttt-85 -100.22 128.79 46.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.527 HD12 ' O ' ' A' ' 28' ' ' GLU . 0.8 OUTLIER -129.66 142.24 50.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 99.6 t -104.16 118.9 52.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.108 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.39 81.55 5.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -95.92 95.99 8.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.6 m -73.43 120.44 19.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -144.54 162.68 27.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 175.71 7.71 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.672 2.248 . . . . 0.0 112.357 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.4 t 37.2 42.18 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.81 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.7 m -134.18 157.24 46.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.896 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.497 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m -124.25 -52.85 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.895 0.379 . . . . 0.0 110.852 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.9 m 67.47 42.2 2.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.74 127.91 8.17 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.505 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.1 p -87.17 42.26 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.882 0.373 . . . . 0.0 110.88 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.0 p -73.48 -43.93 59.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.91 -150.37 23.35 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.47 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.419 ' HD3' ' C ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -104.92 154.46 20.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.793 0.33 . . . . 0.0 110.897 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.9 t -149.52 160.27 43.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.888 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.1 pt -100.91 80.2 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.18 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -85.04 -36.41 21.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -139.02 154.21 48.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.63 -64.49 1.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -169.84 174.52 5.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -54.96 -41.74 71.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.8 mmtt -43.46 -28.18 0.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.468 ' CD ' ' C ' ' A' ' 17' ' ' GLU . 2.3 tm-20 -38.59 -38.89 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.8 t -43.52 -45.51 6.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 20' ' ' ALA . 28.2 tt0 -70.78 -53.55 15.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 19' ' ' GLN . . . -34.07 -52.39 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.089 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.468 ' O ' HG23 ' A' ' 25' ' ' THR . 11.8 m-20 -67.32 -50.35 60.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.406 ' C ' ' O ' ' A' ' 21' ' ' ASP . 47.8 t80 -38.06 -37.73 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.0 mt -83.46 -55.29 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 25' ' ' THR . 55.2 m -45.51 -41.91 10.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 21' ' ' ASP . 36.0 p -34.04 -40.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.131 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -125.72 104.73 8.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.8 p -153.85 143.29 14.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -126.69 125.65 42.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.478 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 41.3 m95 -111.91 127.06 55.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -127.25 149.52 49.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.514 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 22.3 p90 -118.76 140.28 50.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.504 HG13 HG23 ' A' ' 37' ' ' THR . 2.2 mp -94.04 108.49 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.144 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.518 ' O ' ' C ' ' A' ' 34' ' ' LYS . 30.9 t70 -73.34 167.71 20.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.518 ' C ' ' O ' ' A' ' 33' ' ' ASP . 48.1 mtmt -28.32 -71.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -123.91 18.6 9.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.5 mp -132.21 154.51 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.504 HG23 HG13 ' A' ' 32' ' ' ILE . 14.2 m -121.3 103.94 9.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -118.93 173.77 6.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.5 p -124.9 155.64 39.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.514 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 97.8 m-85 -74.88 175.23 8.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.401 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 59.0 m-20 -81.17 178.13 8.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -29.78 67.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.0 mmt -78.38 -50.16 12.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 78.0 m -71.27 -38.36 71.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.401 ' CB ' ' O ' ' A' ' 41' ' ' ASP . 1.1 t30 -40.97 -43.05 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.5 ptp -77.61 -38.82 47.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -48.28 -21.14 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.534 HD22 HG11 ' A' ' 70' ' ' VAL . 96.4 mt -92.27 -48.87 6.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 50' ' ' VAL . 6.8 pt-20 -56.18 -39.33 72.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.451 HG23 ' N ' ' A' ' 51' ' ' ALA . 30.4 m -56.62 -42.34 76.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.603 ' HB1' HD11 ' A' ' 72' ' ' LEU . . . -68.25 -33.03 73.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.117 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.431 ' C ' ' CE3' ' A' ' 52' ' ' TRP . 11.2 t90 -75.26 -39.2 60.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.5 -38.4 71.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.914 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.29 13.67 2.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.8 mtpp 50.26 38.21 16.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.5 mmtm -73.63 168.27 19.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -90.08 -38.15 13.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -168.29 147.38 4.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.521 ' HB ' ' HB2' ' A' ' 51' ' ' ALA . 5.6 t -124.92 131.68 53.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 32.5 t -86.21 140.05 16.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.159 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.56 HG23 HG13 ' A' ' 63' ' ' ILE . 35.4 m -146.69 149.74 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -77.14 103.86 7.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.56 HG13 HG23 ' A' ' 61' ' ' VAL . 57.4 mt -117.33 124.79 73.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.411 ' O ' ' HB2' ' A' ' 65' ' ' ASN . 7.2 m170 62.87 35.77 13.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 64' ' ' HIS . 7.4 m120 66.1 26.78 10.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 63' ' ' ILE . 2.3 pt20 -147.33 135.67 21.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -62.31 130.45 45.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.66 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.7 m-85 -129.41 156.35 44.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 49.6 m -107.61 110.42 22.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.534 HG11 HD22 ' A' ' 48' ' ' LEU . 86.6 t -93.54 111.69 25.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.089 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -91.47 122.05 33.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.603 HD11 ' HB1' ' A' ' 51' ' ' ALA . 8.7 mt -77.77 -36.47 50.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.3 t -40.36 -44.69 2.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.9 t -118.57 -15.52 9.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.185 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 72' ' ' LEU . 5.3 m-20 73.62 54.03 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.781 HG23 ' O ' ' A' ' 85' ' ' PHE . 86.1 m -140.06 135.81 33.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.71 146.83 23.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.88 HG23 HG22 ' A' ' 84' ' ' THR . 7.4 m -147.88 148.34 30.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.186 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.66 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -138.35 153.2 72.67 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.544 0.688 . . . . 0.0 111.134 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 3.14 2.94 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.692 2.261 . . . . 0.0 112.336 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -87.71 -37.48 16.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.78 34.9 0.62 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.467 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.1 mp0 -136.4 137.74 40.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.899 0.38 . . . . 0.0 110.906 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.88 HG22 HG23 ' A' ' 78' ' ' THR . 32.7 p -138.84 139.79 38.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.781 ' O ' HG23 ' A' ' 76' ' ' THR . 0.7 OUTLIER -131.41 174.31 10.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.7 m -119.64 124.27 45.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.101 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.401 HG23 ' HB3' ' A' ' 75' ' ' ASN . 0.8 OUTLIER -97.15 143.66 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 179.848 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.794 ' HG3' HD11 ' A' ' 90' ' ' LEU . 11.4 pt20 -132.82 141.27 48.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.478 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 47.7 ttt-85 -100.32 127.91 46.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.794 HD11 ' HG3' ' A' ' 88' ' ' GLN . 0.8 OUTLIER -135.85 131.89 35.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.6 p -90.37 127.48 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.108 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -95.2 107.83 19.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -105.58 -60.26 1.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.149 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 51.1 m -91.3 101.35 14.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.826 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -123.7 -76.12 0.31 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.492 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 1.69 4.2 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.659 2.239 . . . . 0.0 112.39 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 26.0 t -137.8 136.61 37.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.3 m -51.99 167.34 0.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 179.976 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 t -70.44 131.27 43.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.912 0.387 . . . . 0.0 110.798 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.1 p -51.89 -45.37 64.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.29 -54.14 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.518 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 m -161.43 136.78 7.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 110.892 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.7 m -153.13 137.87 17.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.845 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.53 133.2 2.04 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.466 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.734 ' O ' HG23 ' A' ' 10' ' ' ILE . 2.4 pptp? -126.02 -37.01 2.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.831 0.348 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.461 ' N ' ' HD2' ' A' ' 8' ' ' LYS . 20.2 t -45.13 117.91 1.51 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.734 HG23 ' O ' ' A' ' 8' ' ' LYS . 8.4 pt -140.72 152.71 20.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 46.7 mmm-85 -149.73 168.72 22.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.8 mt -112.21 145.8 39.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.956 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -47.95 173.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.115 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -164.66 158.1 17.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.476 ' HG3' ' N ' ' A' ' 16' ' ' LYS . 12.4 pt-20 -51.05 -43.59 60.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.476 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 31.9 pttt -56.5 -29.86 62.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -38.02 -31.77 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 16' ' ' LYS . 45.3 t -48.11 -46.84 34.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -72.73 -37.36 67.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.98 -59.68 1.39 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.124 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -67.02 -38.0 85.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.489 ' O ' ' CZ ' ' A' ' 26' ' ' TYR . 7.5 t80 -47.95 -37.36 14.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.9 mt -96.6 -51.12 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.072 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.508 ' O ' ' N ' ' A' ' 26' ' ' TYR . 4.3 m -48.58 -43.6 36.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 1.103 HG23 ' CD2' ' A' ' 26' ' ' TYR . 5.0 t -34.16 -32.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.181 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 1.103 ' CD2' HG23 ' A' ' 25' ' ' THR . 1.6 p90 -129.85 105.33 7.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.473 HG11 ' CD ' ' A' ' 49' ' ' GLU . 8.5 p -155.04 139.95 9.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.441 ' CD ' ' HE3' ' A' ' 92' ' ' LYS . 6.8 tt0 -133.22 117.16 17.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.51 ' CE2' ' HG3' ' A' ' 89' ' ' ARG . 56.7 m95 -110.6 121.45 45.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -124.83 148.71 48.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 19.5 p90 -117.97 145.67 44.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.492 HG13 HG23 ' A' ' 37' ' ' THR . 2.3 mp -99.68 105.95 18.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.139 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.53 ' O ' ' C ' ' A' ' 34' ' ' LYS . 15.5 t70 -73.77 167.66 20.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.53 ' C ' ' O ' ' A' ' 33' ' ' ASP . 21.3 mtpp -27.43 -74.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -122.27 19.01 10.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' A' ' 33' ' ' ASP . 3.2 mp -132.32 146.83 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.492 HG23 HG13 ' A' ' 32' ' ' ILE . 23.6 m -116.76 97.75 6.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -112.75 179.61 3.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.4 p -123.34 155.75 36.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 31' ' ' TYR . 90.7 m-85 -71.44 174.7 6.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.854 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -81.69 178.88 8.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -69.42 -35.51 75.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 22.8 mtp -75.49 -47.38 27.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.8 m -69.46 -37.99 77.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -41.07 -46.16 2.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.443 ' O ' HG13 ' A' ' 50' ' ' VAL . 8.0 ptp -78.02 -37.67 46.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -49.32 -28.41 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.408 HD11 ' CE2' ' A' ' 40' ' ' PHE . 95.7 mt -86.14 -53.41 5.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.473 ' CD ' HG11 ' A' ' 27' ' ' VAL . 5.0 pt-20 -51.79 -45.07 63.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.513 HG23 ' N ' ' A' ' 51' ' ' ALA . 27.0 m -52.29 -46.65 45.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.513 ' N ' HG23 ' A' ' 50' ' ' VAL . . . -65.36 -30.13 70.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.055 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.423 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 10.3 t90 -73.0 -38.42 66.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -79.22 -30.91 43.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.97 16.37 1.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.071 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm 47.23 39.99 9.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.0 mmtm -81.77 160.73 23.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -84.86 -35.75 22.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.1 p30 -167.4 156.03 9.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.0 t -133.07 134.96 45.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.0 t -84.87 134.96 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.091 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.445 HG23 HG13 ' A' ' 63' ' ' ILE . 35.3 m -141.73 141.12 30.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -76.4 104.42 6.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.489 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 97.6 mt -114.69 119.54 61.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 66.73 41.16 3.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 63.93 25.84 14.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.489 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 1.6 pt20 -147.12 126.85 13.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -61.66 134.56 56.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.522 ' CE2' ' CE2' ' A' ' 85' ' ' PHE . 3.5 m-85 -128.79 165.2 21.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 47.3 m -112.16 104.94 13.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.121 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.433 HG22 ' HB2' ' A' ' 77' ' ' ALA . 85.6 t -91.95 118.14 36.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 75' ' ' ASN . 3.1 t70 -97.22 122.27 40.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.2 mt -75.54 -41.22 55.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.6 t -42.58 -49.14 5.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.435 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 8.9 t -106.45 -20.43 13.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.118 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.435 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.5 m120 72.53 52.75 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.78 HG23 ' O ' ' A' ' 85' ' ' PHE . 98.5 m -142.54 137.08 29.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.433 ' HB2' HG22 ' A' ' 70' ' ' VAL . . . -95.13 146.47 24.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.478 HG22 ' N ' ' A' ' 79' ' ' ALA . 97.6 m -146.59 156.62 43.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.183 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.478 ' N ' HG22 ' A' ' 78' ' ' THR . . . -147.72 154.05 43.72 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.525 0.679 . . . . 0.0 111.179 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 1.18 4.65 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.66 2.24 . . . . 0.0 112.373 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -86.52 -39.08 16.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.403 ' C ' ' OE1' ' A' ' 83' ' ' GLN . . . 125.91 34.94 0.61 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.403 ' OE1' ' C ' ' A' ' 82' ' ' GLY . 2.7 mp0 -133.92 136.54 44.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.895 0.379 . . . . 0.0 110.868 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 43.7 p -137.35 141.25 41.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.78 ' O ' HG23 ' A' ' 76' ' ' THR . 0.9 OUTLIER -134.21 173.84 11.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.8 m -117.15 124.78 49.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.174 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.426 HG22 ' C ' ' A' ' 75' ' ' ASN . 2.9 m -97.22 136.86 26.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.136 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.594 ' HG3' HD11 ' A' ' 90' ' ' LEU . 12.2 pt20 -131.33 139.16 49.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.51 ' HG3' ' CE2' ' A' ' 29' ' ' TRP . 36.3 ttt180 -101.86 131.04 48.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.594 HD11 ' HG3' ' A' ' 88' ' ' GLN . 1.1 mp -136.42 122.47 20.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.6 p -81.31 147.96 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.091 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.441 ' HE3' ' CD ' ' A' ' 28' ' ' GLU . 35.7 mmtt -122.33 94.46 4.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.888 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -108.54 156.47 19.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 73.2 m -85.75 148.63 25.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -157.11 87.55 0.12 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.494 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 97' ' ' SER . 53.5 Cg_endo -69.78 1.82 4.1 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.351 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 96' ' ' PRO . 5.6 t -36.64 -46.69 0.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.6 p -80.71 -45.48 17.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.513 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.8 m -153.2 169.3 23.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.863 0.363 . . . . 0.0 110.904 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.9 m -109.36 172.28 6.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.66 -69.8 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.461 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.1 m 40.86 42.19 1.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.838 0.351 . . . . 0.0 110.838 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -108.09 -58.35 1.99 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.26 46.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.467 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -43.98 134.44 4.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.782 0.325 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.8 m -117.54 42.15 2.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.7 mm -79.98 119.5 29.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.1 ptt-85 -55.34 175.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.635 HD23 ' H ' ' A' ' 12' ' ' LEU . 1.3 pt? -47.73 144.09 3.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.25 -55.28 6.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.94 139.05 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -82.35 -43.17 17.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -49.06 -21.97 0.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -40.9 -39.71 1.21 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.3 t -42.48 -44.88 4.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.821 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -75.86 -44.97 38.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.77 -47.06 42.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.74 ' O ' HG23 ' A' ' 25' ' ' THR . 1.5 p30 -73.37 -41.5 63.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.58 ' O ' ' CE2' ' A' ' 26' ' ' TYR . 30.3 t80 -48.16 -44.04 32.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.493 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 21.3 mt -79.19 -54.38 11.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.147 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 25' ' ' THR . 45.3 m -38.6 -48.56 1.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.74 HG23 ' O ' ' A' ' 21' ' ' ASP . 81.9 p -37.33 -43.39 0.54 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.135 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.58 ' CE2' ' O ' ' A' ' 22' ' ' TYR . 2.3 p90 -118.74 103.55 9.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.911 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.6 p -154.03 143.42 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.148 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.531 ' O ' HD12 ' A' ' 90' ' ' LEU . 4.9 tp10 -126.39 107.54 10.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.474 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 48.3 m95 -94.96 121.86 37.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -126.35 149.59 49.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.568 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 26.4 p90 -118.25 141.44 48.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.6 HG13 HG23 ' A' ' 37' ' ' THR . 2.1 mp -96.49 109.43 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.129 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' A' ' 36' ' ' ILE . 18.2 t70 -76.18 167.53 21.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.809 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.503 ' C ' ' O ' ' A' ' 33' ' ' ASP . 33.2 mmtt -29.72 -73.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -120.25 17.77 12.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.514 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.7 mp -132.33 154.17 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.6 HG23 HG13 ' A' ' 32' ' ' ILE . 16.9 m -123.13 98.13 5.74 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -110.72 177.78 4.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.5 p -129.2 154.03 47.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 31' ' ' TYR . 96.1 m-85 -71.76 172.59 9.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.87 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.68 -179.45 7.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -71.03 -35.5 72.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 42.8 mmm -72.58 -45.72 57.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.846 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.5 m -74.69 -38.86 62.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.149 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -40.24 -40.2 1.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.514 ' O ' HG13 ' A' ' 50' ' ' VAL . 7.2 ptp -81.54 -39.63 24.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.402 ' C ' HG22 ' A' ' 50' ' ' VAL . 51.4 mttm -47.89 -28.83 2.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.486 HD23 HG21 ' A' ' 59' ' ' THR . 81.7 mt -83.75 -59.56 2.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.507 ' CG ' ' N ' ' A' ' 50' ' ' VAL . 4.8 pt-20 -48.5 -48.98 37.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.514 HG13 ' O ' ' A' ' 46' ' ' MET . 34.7 m -46.84 -44.72 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.489 ' N ' HG23 ' A' ' 50' ' ' VAL . . . -68.85 -34.54 75.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.059 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.599 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 8.9 t90 -70.64 -29.23 65.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -87.09 -29.86 21.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.4 11.93 5.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm 56.3 38.44 29.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -75.62 175.37 8.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.94 -31.48 8.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -171.47 143.14 1.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.486 HG21 HD23 ' A' ' 48' ' ' LEU . 9.9 t -121.99 130.76 53.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.7 t -85.02 138.34 19.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.5 m -145.06 155.99 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.093 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -85.36 110.74 19.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.474 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 96.7 mt -123.02 123.86 68.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 64.37 27.17 13.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 74.76 28.36 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.474 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.7 pt20 -147.12 134.77 21.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -62.2 129.04 38.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.648 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.9 m-85 -129.35 153.69 47.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 44.8 m -104.85 108.1 19.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.409 HG11 HD22 ' A' ' 48' ' ' LEU . 98.4 t -91.42 109.34 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -86.95 121.15 29.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.42 HD11 ' HB1' ' A' ' 51' ' ' ALA . 7.7 mt -74.99 -42.45 57.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.6 t -45.58 -54.2 7.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.4 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 8.2 t -96.79 -18.79 19.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.414 ' C ' HG22 ' A' ' 87' ' ' VAL . 1.3 m120 68.3 46.72 1.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.825 HG23 ' O ' ' A' ' 85' ' ' PHE . 97.5 m -138.89 136.11 35.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.85 147.19 23.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.785 HG23 HG22 ' A' ' 84' ' ' THR . 8.3 m -148.68 146.98 28.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.648 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -137.95 153.1 73.32 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.546 0.689 . . . . 0.0 111.122 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 2.8 3.19 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.247 . . . . 0.0 112.343 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 57.3 mm-40 -87.39 -35.92 18.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 124.38 33.75 0.75 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -134.98 141.43 46.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.351 . . . . 0.0 110.93 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.785 HG22 HG23 ' A' ' 78' ' ' THR . 30.2 p -142.3 141.73 32.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.173 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.825 ' O ' HG23 ' A' ' 76' ' ' THR . 1.0 OUTLIER -132.41 175.11 9.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.849 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.9 m -120.39 124.24 45.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.172 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.414 HG22 ' C ' ' A' ' 75' ' ' ASN . 2.7 m -97.14 136.07 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.461 ' HG3' HD11 ' A' ' 90' ' ' LEU . 9.0 pt20 -126.12 135.74 52.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.474 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 44.4 ttt-85 -95.9 128.95 43.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 28' ' ' GLU . 0.8 OUTLIER -131.85 143.7 50.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.9 p -102.58 140.16 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? -99.35 169.79 9.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -171.21 158.78 5.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.083 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 35.8 m -116.29 113.69 23.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.404 ' HA3' ' HD2' ' A' ' 96' ' ' PRO . . . -61.48 -141.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.46 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.404 ' HD2' ' HA3' ' A' ' 95' ' ' GLY . 53.2 Cg_endo -69.8 86.66 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.653 2.235 . . . . 0.0 112.358 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.5 t -50.02 103.39 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 73.9 m -64.01 109.91 1.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.473 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.2 m -70.43 -47.44 60.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.825 0.345 . . . . 0.0 110.848 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.2 t -162.85 132.95 4.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.87 149.58 5.37 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.8 p -78.51 114.93 17.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.912 0.387 . . . . 0.0 110.85 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.5 t -44.59 111.48 0.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.73 -101.48 0.53 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.52 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.38 175.99 7.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.3 t -104.99 84.66 2.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.6 pt -109.25 39.91 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.127 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.4 mtt85 -108.09 175.66 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.8 mt -91.45 146.05 24.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.52 47.06 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.077 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.3 tmtm? -134.71 98.09 3.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -89.57 -37.38 14.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 18' ' ' SER . 47.9 mmtt -39.76 -32.06 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 16' ' ' LYS . 4.4 pt-20 -37.69 -28.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 16' ' ' LYS . 47.2 p -50.29 -48.92 54.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.901 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 20' ' ' ALA . 16.0 pt20 -85.91 -39.08 17.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 19' ' ' GLN . . . -35.99 -47.72 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 22' ' ' TYR . 0.9 OUTLIER -61.58 -52.4 64.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.443 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 5.3 t80 -37.45 -45.47 0.72 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.6 mt -62.79 -51.37 72.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 25' ' ' THR . 50.0 m -59.07 -40.33 84.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.457 ' C ' ' O ' ' A' ' 24' ' ' SER . 0.2 OUTLIER -32.95 -41.69 0.07 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.136 -179.899 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -119.09 102.89 9.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.5 p -154.11 153.32 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.537 ' O ' HD12 ' A' ' 90' ' ' LEU . 10.8 tt0 -134.77 106.08 6.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.511 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 47.6 m95 -97.67 121.99 40.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -124.86 153.16 43.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.95 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 20.5 p90 -121.67 139.63 53.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.903 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.525 HG13 HG23 ' A' ' 37' ' ' THR . 2.1 mp -94.06 108.03 20.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.124 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 36' ' ' ILE . 17.9 t70 -73.85 167.43 21.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.824 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.513 ' C ' ' O ' ' A' ' 33' ' ' ASP . 4.4 mmmm -28.95 -70.18 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -124.91 19.05 8.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.524 ' N ' HD12 ' A' ' 36' ' ' ILE . 3.5 mp -132.47 150.82 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.525 HG23 HG13 ' A' ' 32' ' ' ILE . 15.5 m -120.41 102.95 8.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -115.53 179.07 4.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.958 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.2 m -117.99 161.29 20.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.567 ' CD2' ' CD1' ' A' ' 48' ' ' LEU . 38.3 m-85 -79.78 158.3 26.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 43' ' ' MET . 1.0 OUTLIER -75.43 138.83 41.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 41' ' ' ASP . 18.2 ptpt -36.59 -29.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.506 ' N ' ' O ' ' A' ' 41' ' ' ASP . 87.5 mmm -74.12 -48.53 28.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 41' ' ' ASP . 88.6 m -72.54 -38.5 67.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 44' ' ' THR . 2.6 t-20 -36.8 -39.19 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.81 ' O ' HG13 ' A' ' 50' ' ' VAL . 4.6 ptp -85.46 -39.17 17.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 44' ' ' THR . 14.6 mtpt -54.51 -20.59 8.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.567 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 74.8 mt -95.65 -50.18 5.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.453 ' C ' ' OE1' ' A' ' 49' ' ' GLU . 0.8 OUTLIER -59.79 -34.63 73.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.81 HG13 ' O ' ' A' ' 46' ' ' MET . 30.0 m -56.95 -42.03 78.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.456 ' HB1' ' HB2' ' A' ' 56' ' ' LYS . . . -74.48 -30.57 61.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.543 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 10.1 t90 -71.09 -32.09 68.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -85.29 -30.49 23.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -83.13 15.72 2.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.088 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.4 mtpt 51.69 37.65 20.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.456 ' HB2' ' HB1' ' A' ' 51' ' ' ALA . 11.2 mmmt -76.8 166.82 22.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.25 -33.34 12.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -165.18 148.84 8.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.567 HG21 ' HA ' ' A' ' 48' ' ' LEU . 13.0 t -131.35 130.45 42.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 31.1 t -85.81 140.61 15.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.454 HG23 HG13 ' A' ' 63' ' ' ILE . 27.3 m -144.14 155.12 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 -83.69 106.78 15.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.469 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 85.7 mt -120.13 121.03 64.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 64.04 36.59 9.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 66.59 25.87 9.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.469 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 1.2 pt20 -146.17 128.7 16.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.0 p-10 -61.81 132.28 52.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.525 ' CE2' ' CE2' ' A' ' 85' ' ' PHE . 4.1 m-85 -129.22 152.13 49.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.7 m -100.66 107.83 19.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.511 HG22 ' HB2' ' A' ' 77' ' ' ALA . 69.1 t -94.59 114.58 31.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.117 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 75' ' ' ASN . 1.6 t70 -92.02 123.43 35.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.7 mt -74.92 -43.25 55.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 t -41.54 -52.33 3.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.459 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 11.0 t -102.42 -18.97 15.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.108 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.459 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.1 m120 69.82 51.81 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.858 HG23 ' O ' ' A' ' 85' ' ' PHE . 99.2 m -141.08 137.2 32.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.161 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.511 ' HB2' HG22 ' A' ' 70' ' ' VAL . . . -93.24 149.76 20.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.632 HG23 HG22 ' A' ' 84' ' ' THR . 16.4 m -151.61 148.83 28.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.203 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.501 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -139.01 153.5 71.72 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.558 0.695 . . . . 0.0 111.11 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 3.51 2.74 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.659 2.24 . . . . 0.0 112.339 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -89.53 -36.76 15.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.34 35.29 0.62 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -133.4 139.23 46.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.361 . . . . 0.0 110.904 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.632 HG22 HG23 ' A' ' 78' ' ' THR . 43.4 p -139.04 144.52 38.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.138 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.858 ' O ' HG23 ' A' ' 76' ' ' THR . 1.4 m-85 -138.77 175.08 9.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 33.0 m -119.71 124.37 46.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.178 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.501 HG12 ' HE2' ' A' ' 40' ' ' PHE . 3.9 m -97.56 133.32 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.186 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.464 ' HG3' HD11 ' A' ' 90' ' ' LEU . 9.5 pt20 -126.89 140.74 52.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.511 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 35.7 ttt-85 -97.32 132.91 42.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.537 HD12 ' O ' ' A' ' 28' ' ' GLU . 1.3 mp -135.05 143.61 46.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 95.4 t -109.6 123.53 65.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.8 mmpt? -80.26 85.07 5.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -81.85 39.97 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 77.8 p -109.98 125.47 52.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.846 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -56.42 141.84 40.86 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 1.42 4.44 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.667 2.245 . . . . 0.0 112.333 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.3 m 61.49 42.49 11.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 82.8 p -79.75 170.17 16.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.4 m -81.14 138.04 35.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 0.0 110.827 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.3 p -84.67 -48.59 9.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.66 -64.34 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.465 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -146.87 119.73 8.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.891 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.0 t -58.4 132.86 54.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.3 91.03 0.12 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.63 152.46 20.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.783 0.325 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.689 ' HB3' HD12 ' A' ' 10' ' ' ILE . 1.9 t -95.3 158.15 15.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.689 HD12 ' HB3' ' A' ' 9' ' ' SER . 4.3 mp 57.24 51.94 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -77.32 84.14 3.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.567 ' O ' HD12 ' A' ' 12' ' ' LEU . 3.8 pp -43.73 149.03 0.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.79 -175.09 2.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.111 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.74 15.98 1.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -85.39 -50.67 7.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 17' ' ' GLU . 18.4 tptt -64.81 -5.57 6.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 16' ' ' LYS . 20.7 mm-40 -37.76 -36.34 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 19' ' ' GLN . 13.9 t -45.46 -44.88 12.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 18' ' ' SER . 7.9 pt20 -35.57 -39.52 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.72 -56.7 17.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.497 ' O ' HG22 ' A' ' 25' ' ' THR . 8.2 m-20 -71.04 -41.88 70.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -52.38 -33.49 43.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.421 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 23.6 mt -94.35 -56.82 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.154 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 26' ' ' TYR . 11.0 m -49.82 -42.43 47.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.671 HG23 ' HD1' ' A' ' 26' ' ' TYR . 2.6 t -33.6 -33.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.671 ' HD1' HG23 ' A' ' 25' ' ' THR . 55.6 p90 -125.14 105.1 8.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.579 HG11 ' CD ' ' A' ' 49' ' ' GLU . 14.6 p -154.22 158.12 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.159 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.475 ' N ' HG22 ' A' ' 27' ' ' VAL . 16.2 tp10 -134.8 118.55 17.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.494 ' CE2' ' HG3' ' A' ' 89' ' ' ARG . 41.0 m95 -115.13 119.77 37.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.451 ' HG2' ' CB ' ' A' ' 39' ' ' CYS . 42.7 mt-30 -123.78 154.38 39.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.567 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 22.7 p90 -119.58 140.32 50.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.554 HG13 HG23 ' A' ' 37' ' ' THR . 2.4 mp -95.4 107.74 20.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.16 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 36' ' ' ILE . 6.8 t70 -73.74 167.62 21.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.505 ' C ' ' O ' ' A' ' 33' ' ' ASP . 7.9 mtmp? -28.63 -72.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -122.29 18.42 10.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 33' ' ' ASP . 3.3 mp -132.17 150.61 33.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.185 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.554 HG23 HG13 ' A' ' 32' ' ' ILE . 21.2 m -120.83 106.03 11.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -121.05 171.21 8.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.451 ' CB ' ' HG2' ' A' ' 30' ' ' GLN . 29.0 p -113.23 160.2 18.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.567 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 45.1 m-85 -78.38 173.79 11.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -71.58 164.2 26.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.3 ptpt -61.96 -25.7 67.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 91.1 mmm -89.5 -43.37 10.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 45' ' ' ASN . 91.9 m -66.76 -40.69 88.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.426 ' CG ' ' N ' ' A' ' 46' ' ' MET . 1.1 p-10 -37.78 -47.81 1.04 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.476 ' O ' HG22 ' A' ' 50' ' ' VAL . 7.2 ptp -75.12 -37.46 61.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.1 mttt -50.58 -18.67 0.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.544 HD22 HG11 ' A' ' 70' ' ' VAL . 75.9 mt -96.07 -39.21 9.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.579 ' CD ' HG11 ' A' ' 27' ' ' VAL . 6.9 pt-20 -66.7 -40.09 88.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.938 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' ' 46' ' ' MET . 11.6 m -56.69 -34.97 43.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.506 ' CB ' HD11 ' A' ' 72' ' ' LEU . . . -76.71 -30.73 56.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.545 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 10.9 t90 -74.34 -30.31 61.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -88.16 -29.44 20.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.3 17.09 1.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt 51.21 39.05 22.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.9 mmtp -83.53 164.24 19.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.949 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.56 -34.52 12.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -165.2 151.86 10.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.6 t -130.11 131.42 45.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.151 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.2 t -84.43 137.33 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.441 HG23 HG13 ' A' ' 63' ' ' ILE . 30.4 m -144.24 149.33 17.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -79.28 104.54 9.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.488 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 67.4 mt -117.21 121.98 68.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.403 ' O ' ' HB2' ' A' ' 65' ' ' ASN . 13.7 m170 63.15 38.96 10.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 64' ' ' HIS . 3.7 m-20 64.35 26.75 13.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.488 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.5 pt20 -147.08 131.35 17.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.954 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -61.73 131.23 49.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.684 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.7 m-85 -129.29 152.21 49.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 56.0 m -102.83 108.77 20.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.544 HG11 HD22 ' A' ' 48' ' ' LEU . 74.4 t -92.7 110.76 23.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 75' ' ' ASN . 7.1 t0 -89.39 116.92 27.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.506 HD11 ' CB ' ' A' ' 51' ' ' ALA . 10.3 mt -72.4 -43.45 63.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 m -42.58 -52.48 4.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.816 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.4 t -100.75 -16.24 17.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.127 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.47 ' C ' HG22 ' A' ' 87' ' ' VAL . 1.4 m120 67.06 52.6 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.842 HG23 ' O ' ' A' ' 85' ' ' PHE . 97.7 m -143.87 135.55 26.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.79 150.28 20.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.791 HG23 HG22 ' A' ' 84' ' ' THR . 7.3 m -152.04 147.41 26.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.141 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.684 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -137.72 153.5 74.05 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.537 0.684 . . . . 0.0 111.089 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 2.26 3.7 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.66 2.24 . . . . 0.0 112.316 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -86.2 -37.69 18.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.81 36.36 0.55 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.489 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -138.01 140.27 40.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.791 HG22 HG23 ' A' ' 78' ' ' THR . 22.7 p -139.57 144.1 37.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.188 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.842 ' O ' HG23 ' A' ' 76' ' ' THR . 1.1 m-85 -136.25 175.03 9.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.6 m -118.1 125.46 50.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.184 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.47 HG22 ' C ' ' A' ' 75' ' ' ASN . 3.7 m -97.32 139.22 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.637 ' HG3' HD11 ' A' ' 90' ' ' LEU . 2.6 pt20 -130.7 135.61 47.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.494 ' HG3' ' CE2' ' A' ' 29' ' ' TRP . 44.5 ttt180 -98.0 127.13 43.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.637 HD11 ' HG3' ' A' ' 88' ' ' GLN . 1.0 OUTLIER -130.18 141.16 50.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.4 p -90.89 140.03 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? -100.48 137.47 38.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -126.23 -58.04 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.081 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.6 t -41.69 144.34 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 124.4 179.78 15.86 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.504 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 2.73 3.26 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.715 2.276 . . . . 0.0 112.337 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.3 p -68.43 -53.38 23.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 85.3 p -55.44 112.85 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 -179.946 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -123.11 -53.62 1.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.826 0.346 . . . . 0.0 110.833 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 t -148.86 127.86 12.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.46 54.94 0.77 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.4 m -51.04 -56.16 13.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.371 . . . . 0.0 110.852 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -95.99 105.53 17.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.06 -43.95 0.64 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.46 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -171.33 134.48 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 110.86 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.0 p -158.38 113.67 2.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.82 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.6 mm -63.98 -60.55 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.103 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -137.05 161.97 34.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.9 mt -96.42 39.93 1.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.09 80.78 1.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -170.85 166.21 7.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -45.45 -36.2 4.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 17' ' ' GLU . 22.2 mmmt -40.25 -30.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 16' ' ' LYS . 0.5 OUTLIER -37.0 -39.61 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 t -42.58 -46.87 5.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -39.7 -51.38 2.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.14 -52.59 7.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.064 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.541 ' O ' HG22 ' A' ' 25' ' ' THR . 16.8 t70 -71.22 -38.13 72.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.563 ' O ' ' CE2' ' A' ' 26' ' ' TYR . 12.9 t80 -51.04 -32.68 22.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.509 ' HA ' ' CZ ' ' A' ' 26' ' ' TYR . 22.6 mt -94.67 -54.91 6.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.164 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 26' ' ' TYR . 14.4 m -48.84 -42.46 36.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.979 HG23 ' CD2' ' A' ' 26' ' ' TYR . 1.3 t -33.73 -33.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.979 ' CD2' HG23 ' A' ' 25' ' ' THR . 2.6 p90 -125.23 105.96 9.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.717 HG11 ' OE1' ' A' ' 49' ' ' GLU . 9.6 p -154.13 147.39 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -127.09 127.03 44.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.514 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 53.0 m95 -120.98 115.17 22.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -121.77 152.06 39.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.506 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 17.9 p90 -120.79 142.36 49.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.51 HG13 HG23 ' A' ' 37' ' ' THR . 2.2 mp -95.37 108.41 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.523 ' N ' ' O ' ' A' ' 36' ' ' ILE . 25.8 t70 -74.34 167.78 20.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.522 ' C ' ' O ' ' A' ' 33' ' ' ASP . 28.1 mtmm -28.02 -71.61 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -123.97 19.14 9.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.6 mp -132.33 154.35 39.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.51 HG23 HG13 ' A' ' 32' ' ' ILE . 17.1 m -122.44 98.55 5.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.165 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 -112.39 177.36 4.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.7 p -126.64 157.79 38.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.506 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 89.9 m-85 -78.38 168.23 20.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -79.23 -179.42 6.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.861 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -70.96 -30.81 67.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -75.23 -45.0 43.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 85.2 m -76.47 -37.62 56.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.428 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 2.3 t-20 -42.01 -45.92 4.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.577 ' O ' HG22 ' A' ' 50' ' ' VAL . 8.4 ptp -73.01 -38.81 66.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -50.73 -29.59 11.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.593 HD22 HG11 ' A' ' 70' ' ' VAL . 95.9 mt -84.95 -59.17 2.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.961 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.717 ' OE1' HG11 ' A' ' 27' ' ' VAL . 6.7 pt-20 -48.75 -48.18 41.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 46' ' ' MET . 27.3 m -49.25 -46.82 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.643 ' CB ' HD11 ' A' ' 72' ' ' LEU . . . -65.34 -36.12 83.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.132 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.591 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 9.0 t90 -72.51 -30.55 64.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.47 ' HE3' ' CE3' ' A' ' 52' ' ' TRP . 6.1 mmpt? -82.41 -34.56 28.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.978 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.51 7.86 4.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.0 mttp 62.53 35.6 14.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -81.18 165.93 21.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -98.77 -31.85 11.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -162.42 144.9 11.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.824 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.471 ' HB ' ' CB ' ' A' ' 51' ' ' ALA . 9.1 t -128.36 132.0 48.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.148 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.9 t -81.18 138.15 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.079 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.482 HG23 HG13 ' A' ' 63' ' ' ILE . 33.8 m -145.94 153.58 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -84.72 105.59 15.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.486 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 56.3 mt -119.19 125.64 74.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.106 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 18.0 m170 62.32 30.55 17.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 70.89 27.91 3.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.486 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 3.9 pt20 -146.91 135.48 22.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.93 129.07 39.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.643 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.7 m-85 -129.15 154.99 46.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 37.4 m -107.16 106.91 17.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.593 HG11 HD22 ' A' ' 48' ' ' LEU . 85.1 t -90.59 104.7 15.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -81.47 116.53 21.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.643 HD11 ' CB ' ' A' ' 51' ' ' ALA . 6.6 mt -78.0 -37.13 47.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 t -44.76 -37.85 4.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.1 t -120.72 -17.04 8.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.14 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.415 ' CA ' HG23 ' A' ' 87' ' ' VAL . 2.6 m-20 74.51 54.93 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 85' ' ' PHE . 63.4 m -142.46 138.42 31.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.74 145.27 27.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.049 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.462 HG23 HG22 ' A' ' 84' ' ' THR . 47.8 m -147.18 145.54 29.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.643 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -136.0 153.1 76.69 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.561 0.696 . . . . 0.0 111.116 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 2.11 3.8 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -86.62 -37.47 18.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.21 32.27 0.8 Allowed Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.458 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -133.67 137.0 45.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.925 0.393 . . . . 0.0 110.857 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.462 HG22 HG23 ' A' ' 78' ' ' THR . 44.8 p -136.79 144.72 43.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.627 ' O ' HG23 ' A' ' 76' ' ' THR . 0.7 OUTLIER -136.25 175.12 9.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 84.2 m -120.4 123.75 43.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.415 HG23 ' CA ' ' A' ' 75' ' ' ASN . 2.6 m -97.06 146.01 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.471 ' HG3' HD11 ' A' ' 90' ' ' LEU . 11.0 pt20 -133.75 144.1 48.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.514 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 54.3 ttt-85 -107.52 125.98 51.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.487 ' N ' HD12 ' A' ' 90' ' ' LEU . 0.7 OUTLIER -129.08 122.55 30.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.403 HG12 ' N ' ' A' ' 92' ' ' LYS . 99.3 t -77.97 152.36 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.403 ' N ' HG12 ' A' ' 91' ' ' VAL . 23.1 mttt -135.6 108.33 7.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -169.09 129.21 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 45.9 t -154.13 137.34 15.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -98.97 173.66 26.88 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 118.69 5.83 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 39.5 m -157.21 129.99 7.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.6 p -132.69 102.8 5.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.837 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.444 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.826 0.346 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.558 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 55.7 m95 -128.68 121.34 28.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -129.48 150.77 50.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 16.3 p90 -116.5 139.41 50.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.532 HG13 HG23 ' A' ' 37' ' ' THR . 2.2 mp -95.55 106.23 18.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 36' ' ' ILE . 43.9 t0 -73.57 167.58 21.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.506 ' C ' ' O ' ' A' ' 33' ' ' ASP . 19.5 mttm -28.95 -72.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.448 ' H ' HD12 ' A' ' 36' ' ' ILE . 38.5 t30 -122.96 19.17 10.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.543 ' N ' HD12 ' A' ' 36' ' ' ILE . 2.4 mp -132.32 149.03 31.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.532 HG23 HG13 ' A' ' 32' ' ' ILE . 19.7 m -119.54 97.91 5.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -113.84 174.78 5.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.7 p -123.57 160.89 26.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.574 ' CZ ' ' HB3' ' A' ' 31' ' ' TYR . 98.7 m-85 -80.68 162.06 24.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.18 166.95 5.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.03 -21.48 66.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 19.5 ptp -88.02 -38.83 15.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.4 m -76.95 -37.28 55.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.185 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.49 ' OD1' ' N ' ' A' ' 29' ' ' TRP . 27.2 t30 -41.6 -40.16 1.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.736 ' O ' HG22 ' A' ' 50' ' ' VAL . 5.4 ptp -78.18 -42.51 31.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.407 ' N ' ' CG ' ' A' ' 46' ' ' MET . 59.6 mttt -44.39 -27.06 0.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.5 mt -89.73 -53.4 4.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.45 ' HA ' ' CZ2' ' A' ' 29' ' ' TRP . 5.1 pt-20 -51.49 -43.53 62.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.736 HG22 ' O ' ' A' ' 46' ' ' MET . 8.5 m -57.46 -33.58 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.71 -31.35 46.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.593 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 10.5 t90 -75.55 -29.0 59.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -89.49 -32.47 17.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.93 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.14 4.6 5.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.115 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt 64.03 35.14 10.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -79.33 164.55 23.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -93.07 -35.92 12.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.862 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -165.73 148.21 7.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.0 t -128.79 136.98 51.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.0 t -92.02 136.53 24.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.442 HG23 HG13 ' A' ' 63' ' ' ILE . 31.0 m -140.44 151.55 21.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.118 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.7 mp0 -80.63 105.76 12.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.575 HG22 ' CD2' ' A' ' 64' ' ' HIS . 84.2 mt -118.47 122.76 70.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.575 ' CD2' HG22 ' A' ' 63' ' ' ILE . 12.0 m170 63.53 33.86 13.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.83 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 68.88 26.29 5.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.459 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 1.4 pt20 -146.41 130.28 17.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -61.61 131.93 51.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.575 ' CE2' ' CE2' ' A' ' 85' ' ' PHE . 4.0 m-85 -129.35 153.45 47.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 39.9 m -102.7 108.54 19.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.108 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.437 HG22 ' HB2' ' A' ' 77' ' ' ALA . 84.2 t -96.66 114.06 32.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 75' ' ' ASN . 1.5 t70 -91.85 120.41 32.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.455 HD22 ' HB2' ' A' ' 52' ' ' TRP . 6.5 mt -72.35 -42.63 65.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.8 t -42.21 -51.35 4.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.428 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 9.3 t -103.28 -18.27 14.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.121 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 71' ' ' ASP . 1.2 m120 68.79 55.03 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.86 HG23 ' O ' ' A' ' 85' ' ' PHE . 93.2 m -144.4 137.13 26.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.437 ' HB2' HG22 ' A' ' 70' ' ' VAL . . . -92.84 149.84 21.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.051 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.628 HG23 HG22 ' A' ' 84' ' ' THR . 22.0 m -152.52 145.29 24.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.499 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -136.06 154.61 77.62 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.623 0.725 . . . . 0.0 111.077 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 1.21 4.65 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.625 2.217 . . . . 0.0 112.366 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -86.93 -37.1 17.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 124.97 32.66 0.79 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.467 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -132.19 134.78 45.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.894 0.378 . . . . 0.0 110.906 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.628 HG22 HG23 ' A' ' 78' ' ' THR . 51.4 p -134.62 147.13 50.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.86 ' O ' HG23 ' A' ' 76' ' ' THR . 1.5 m-85 -139.03 175.17 9.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 40.4 m -120.49 125.04 46.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.156 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.5 m -98.82 135.01 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.559 ' HG3' HD11 ' A' ' 90' ' ' LEU . 10.8 pt20 -122.88 143.52 49.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.558 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 54.9 ttt-85 -104.57 125.33 50.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.559 HD11 ' HG3' ' A' ' 88' ' ' GLN . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.833 0.349 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.522 ' CE3' ' HB3' ' A' ' 48' ' ' LEU . 31.7 m95 -123.67 128.88 50.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -128.24 151.7 48.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.943 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.577 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 33.8 p90 -119.49 140.75 49.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.59 HG13 HG23 ' A' ' 37' ' ' THR . 2.1 mp -95.72 107.86 20.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.097 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' A' ' 36' ' ' ILE . 9.7 t70 -73.88 167.44 21.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -29.7 -70.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.872 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -123.34 18.41 9.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.519 ' O ' ' N ' ' A' ' 33' ' ' ASP . 3.9 mp -132.24 152.01 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.59 HG23 HG13 ' A' ' 32' ' ' ILE . 9.2 m -120.9 97.94 5.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.138 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -113.61 174.59 5.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.4 p -117.82 163.53 16.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 31' ' ' TYR . 76.7 m-85 -77.3 170.65 16.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.71 178.19 2.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.78 -27.35 61.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 33.1 mtm -93.74 -31.11 14.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.444 HG21 ' HD2' ' A' ' 40' ' ' PHE . 95.3 m -75.46 -36.12 60.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -43.53 -41.64 4.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.617 ' O ' HG22 ' A' ' 50' ' ' VAL . 7.1 ptp -75.8 -36.68 59.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 55.9 mttt -51.0 -20.82 1.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.522 ' HB3' ' CE3' ' A' ' 29' ' ' TRP . 64.5 mt -95.89 -53.95 3.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.447 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 0.7 OUTLIER -54.14 -38.75 65.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.617 HG22 ' O ' ' A' ' 46' ' ' MET . 27.6 m -60.78 -47.36 93.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.524 ' N ' HG23 ' A' ' 50' ' ' VAL . . . -65.1 -35.66 81.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.486 ' HB2' HD22 ' A' ' 72' ' ' LEU . 10.8 t90 -69.77 -38.08 76.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -79.84 -31.46 40.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.11 12.68 2.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.128 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 79.1 mttt 54.49 38.17 29.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -82.46 158.15 23.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.6 tptt -84.6 -37.14 21.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -163.82 152.48 13.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 59' ' ' THR . 13.5 t -131.9 127.02 35.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.1 t -82.08 137.0 21.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.123 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.559 HG23 HG13 ' A' ' 63' ' ' ILE . 29.1 m -142.11 153.92 18.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.165 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -83.49 107.0 15.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.559 HG13 HG23 ' A' ' 61' ' ' VAL . 86.6 mt -119.59 119.83 61.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.535 ' CD2' HG22 ' A' ' 63' ' ' ILE . 11.3 m170 64.26 36.97 8.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 67.34 25.16 8.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 1.8 pt20 -146.16 127.43 14.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -61.67 133.4 55.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.499 ' CE2' ' CE2' ' A' ' 85' ' ' PHE . 4.1 m-85 -129.31 150.1 50.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 40.0 m -98.07 105.59 17.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.181 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.513 HG22 ' HB2' ' A' ' 77' ' ' ALA . 57.4 t -93.38 111.28 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.163 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 75' ' ' ASN . 2.8 t0 -90.16 118.21 29.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.486 HD22 ' HB2' ' A' ' 52' ' ' TRP . 6.1 mt -72.7 -43.11 63.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 m -40.31 -43.41 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.449 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 9.3 t -111.46 -19.57 12.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.147 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.449 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.2 m120 71.6 54.98 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.85 HG23 ' O ' ' A' ' 85' ' ' PHE . 96.8 m -145.68 137.18 25.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.513 ' HB2' HG22 ' A' ' 70' ' ' VAL . . . -92.95 148.27 22.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.078 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.563 HG23 HG22 ' A' ' 84' ' ' THR . 23.8 m -151.25 145.64 25.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.153 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.457 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -137.47 155.45 75.44 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.581 0.705 . . . . 0.0 111.086 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.42 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 53.8 Cg_endo -69.8 1.93 4.02 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.67 2.247 . . . . 0.0 112.34 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -87.75 -39.15 15.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 126.14 34.39 0.63 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -133.64 132.17 40.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.363 . . . . 0.0 110.896 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.563 HG22 HG23 ' A' ' 78' ' ' THR . 49.8 p -132.53 144.38 50.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.85 ' O ' HG23 ' A' ' 76' ' ' THR . 1.6 m-85 -135.89 175.08 9.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.3 m -120.07 123.27 42.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.161 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.1 m -97.35 137.72 24.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.074 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.474 ' HG3' HD11 ' A' ' 90' ' ' LEU . 10.6 pt20 -127.03 140.9 51.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.42 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 64.6 ttt-85 -99.97 130.91 46.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.474 HD11 ' HG3' ' A' ' 88' ' ' GLN . 1.1 mp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.843 0.354 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.52 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 59.5 m95 -130.57 115.15 16.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -125.48 152.07 45.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.542 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 25.9 p90 -117.9 143.7 46.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.56 HG13 HG23 ' A' ' 37' ' ' THR . 2.2 mp -98.81 106.64 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.519 ' O ' ' C ' ' A' ' 34' ' ' LYS . 20.5 t70 -74.53 167.47 21.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.833 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.519 ' C ' ' O ' ' A' ' 33' ' ' ASP . 13.8 mmtp -27.93 -73.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -121.9 18.8 10.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.504 ' O ' ' N ' ' A' ' 33' ' ' ASP . 3.2 mp -132.41 147.22 32.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.56 HG23 HG13 ' A' ' 32' ' ' ILE . 18.0 m -117.32 99.9 7.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.122 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -113.51 179.65 3.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.7 p -126.35 162.52 25.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.542 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 96.9 m-85 -82.55 159.74 22.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 43' ' ' MET . 0.5 OUTLIER -75.43 141.78 43.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.01 -25.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.502 ' N ' ' O ' ' A' ' 41' ' ' ASP . 70.0 mtm -74.06 -48.44 29.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.891 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 47' ' ' LYS . 98.3 m -77.17 -41.43 41.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.175 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 44' ' ' THR . 3.4 t-20 -34.36 -44.34 0.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.624 ' O ' HG13 ' A' ' 50' ' ' VAL . 8.0 ptp -74.21 -43.72 56.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 44' ' ' THR . 73.5 mttt -50.29 -24.45 2.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.0 mt -91.2 -53.44 4.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -54.32 -35.67 62.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.624 HG13 ' O ' ' A' ' 46' ' ' MET . 35.0 m -62.62 -43.4 98.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.469 ' N ' HG23 ' A' ' 50' ' ' VAL . . . -67.71 -29.26 68.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.45 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 10.5 t90 -73.96 -36.72 64.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.954 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -83.47 -27.04 29.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.94 17.37 1.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.121 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt 48.91 38.63 12.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -84.23 159.52 20.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -86.61 -34.76 19.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -166.96 152.6 7.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.7 t -130.63 134.03 46.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.6 t -86.7 135.73 24.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.083 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.504 HG23 HG13 ' A' ' 63' ' ' ILE . 32.9 m -141.8 151.29 18.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.077 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -79.65 109.72 14.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.553 HG22 ' CD2' ' A' ' 64' ' ' HIS . 68.5 mt -122.42 119.91 59.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.553 ' CD2' HG22 ' A' ' 63' ' ' ILE . 11.5 m170 66.08 35.32 6.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.833 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.8 t30 66.76 28.03 9.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.473 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.5 pt20 -147.17 132.91 18.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -61.97 130.91 47.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.675 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.6 m-85 -129.46 156.0 44.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 56.8 m -108.11 110.08 21.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.093 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.3 t -95.65 115.45 34.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 75' ' ' ASN . 4.1 t0 -92.6 117.88 30.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.402 HD11 ' HB1' ' A' ' 51' ' ' ALA . 9.9 mt -71.4 -43.4 66.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.8 m -43.93 -53.42 6.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.437 HG22 ' HB3' ' A' ' 71' ' ' ASP . 11.6 t -98.65 -21.94 16.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.121 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 71' ' ' ASP . 1.2 m120 71.15 53.57 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.679 HG23 ' O ' ' A' ' 85' ' ' PHE . 96.7 m -143.24 134.47 25.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.413 ' HB3' ' HD2' ' A' ' 85' ' ' PHE . . . -92.88 144.15 25.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.073 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.738 HG23 HG22 ' A' ' 84' ' ' THR . 10.1 m -146.32 148.32 32.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.675 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -139.89 153.35 69.62 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.595 0.712 . . . . 0.0 111.123 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 3.13 2.96 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.249 . . . . 0.0 112.362 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -87.71 -36.79 17.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 124.69 32.71 0.8 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.505 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -133.6 139.61 46.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.887 0.375 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.738 HG22 HG23 ' A' ' 78' ' ' THR . 37.1 p -141.08 141.06 34.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.679 ' O ' HG23 ' A' ' 76' ' ' THR . 0.7 OUTLIER -132.76 175.12 9.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 40.7 m -118.83 124.45 47.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.129 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.404 HG23 ' HB3' ' A' ' 75' ' ' ASN . 3.0 m -97.19 136.73 26.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.169 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -127.64 136.93 52.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.52 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 52.7 ttt-85 -97.98 131.29 44.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.834 0.35 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.543 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 49.1 m95 -120.81 119.83 33.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -123.37 149.25 45.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.564 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 19.5 p90 -118.5 145.27 45.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.563 HG13 HG23 ' A' ' 37' ' ' THR . 2.2 mp -99.19 107.96 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.523 ' N ' ' O ' ' A' ' 36' ' ' ILE . 17.1 t70 -73.88 167.78 20.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.513 ' C ' ' O ' ' A' ' 33' ' ' ASP . 31.2 mtpt -29.07 -72.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -121.97 18.13 10.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.0 mp -132.26 153.96 39.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.563 HG23 HG13 ' A' ' 32' ' ' ILE . 13.5 m -121.08 97.95 5.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 31' ' ' TYR . 19.2 mt-30 -111.04 178.04 4.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 32.0 p -129.04 159.48 35.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 98.2 m-85 -80.07 161.5 25.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -68.89 177.36 2.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -68.82 -34.78 76.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.1 ptp -74.87 -42.85 57.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.2 m -74.07 -35.39 64.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.083 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.447 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 19.1 t-20 -43.86 -46.04 7.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.515 ' O ' HG13 ' A' ' 50' ' ' VAL . 9.1 ptp -75.15 -36.67 61.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -50.63 -23.23 2.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.478 HD23 ' CG2' ' A' ' 59' ' ' THR . 88.9 mt -95.44 -51.82 4.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 50' ' ' VAL . 1.6 pp20? -53.6 -36.67 62.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.529 HG23 ' N ' ' A' ' 51' ' ' ALA . 26.7 m -58.85 -49.05 84.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.149 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.529 ' N ' HG23 ' A' ' 50' ' ' VAL . . . -62.7 -32.84 74.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.077 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.427 ' HA ' HD13 ' A' ' 72' ' ' LEU . 12.2 t90 -69.59 -37.51 76.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -79.22 -30.5 43.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.92 17.54 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.8 mttt 47.53 37.61 6.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -78.53 162.81 26.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -87.04 -36.87 17.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.6 p30 -164.41 152.13 12.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.478 ' CG2' HD23 ' A' ' 48' ' ' LEU . 9.8 t -128.23 128.26 44.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.7 t -84.33 133.88 28.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.559 HG23 HG13 ' A' ' 63' ' ' ILE . 33.4 m -140.13 152.35 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -81.73 105.57 12.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.702 HG22 ' CD2' ' A' ' 64' ' ' HIS . 84.3 mt -118.11 118.03 56.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.702 ' CD2' HG22 ' A' ' 63' ' ' ILE . 9.9 m170 67.08 40.02 3.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 63.82 25.86 14.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.485 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 1.1 pt20 -147.28 129.77 15.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.89 132.64 53.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.632 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.5 m-85 -128.91 152.64 48.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.2 m -101.47 106.87 18.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.509 HG22 ' HB2' ' A' ' 77' ' ' ALA . 65.1 t -94.5 112.82 27.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 75' ' ' ASN . 8.0 t0 -89.31 120.84 31.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 52' ' ' TRP . 11.4 mt -73.47 -39.23 65.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.922 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.6 t -45.19 -54.07 7.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.839 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.429 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 8.9 t -100.67 -19.56 16.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.429 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.4 m120 71.31 53.73 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.886 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.876 HG23 ' O ' ' A' ' 85' ' ' PHE . 98.6 m -142.36 137.09 30.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.091 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.509 ' HB2' HG22 ' A' ' 70' ' ' VAL . . . -92.86 148.43 22.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.626 HG23 HG22 ' A' ' 84' ' ' THR . 19.9 m -150.21 145.41 26.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.632 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -136.23 153.36 76.51 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.6 0.714 . . . . 0.0 111.089 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 3.85 2.54 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.678 2.252 . . . . 0.0 112.342 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -89.49 -37.84 14.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.444 ' C ' ' OE1' ' A' ' 83' ' ' GLN . . . 125.87 34.89 0.62 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.488 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.444 ' OE1' ' C ' ' A' ' 82' ' ' GLY . 5.4 mp0 -135.06 133.53 39.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.881 0.372 . . . . 0.0 110.927 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.626 HG22 HG23 ' A' ' 78' ' ' THR . 42.2 p -133.66 144.18 49.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.876 ' O ' HG23 ' A' ' 76' ' ' THR . 1.1 m-85 -136.26 175.1 9.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.7 m -119.24 124.3 46.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.42 HG22 ' C ' ' A' ' 75' ' ' ASN . 2.9 m -97.23 138.39 22.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.439 ' HG3' HD11 ' A' ' 90' ' ' LEU . 7.9 pt20 -128.15 146.1 50.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.973 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.543 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 48.7 ttt-85 -107.07 131.97 53.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.517 ' N ' HD12 ' A' ' 90' ' ' LEU . 1.2 mp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.42 ' O ' HD12 ' A' ' 90' ' ' LEU . 3.5 tp10 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.851 0.357 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.509 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 51.8 m95 -115.15 119.53 36.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.953 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.404 ' HG2' ' CB ' ' A' ' 39' ' ' CYS . 46.2 mt-30 -125.32 151.72 45.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.495 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 24.7 p90 -119.12 138.8 52.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.545 HG13 HG23 ' A' ' 37' ' ' THR . 2.0 mp -92.35 108.59 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.131 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' A' ' 36' ' ' ILE . 23.8 t0 -73.9 167.53 21.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.499 ' C ' ' O ' ' A' ' 33' ' ' ASP . 17.5 mmmt -30.13 -70.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -122.77 17.54 10.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.6 mp -132.31 154.06 39.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.545 HG23 HG13 ' A' ' 32' ' ' ILE . 12.5 m -121.11 97.93 5.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.194 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -111.62 177.41 4.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.404 ' CB ' ' HG2' ' A' ' 30' ' ' GLN . 30.8 p -127.42 154.79 44.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.575 ' HE1' HD11 ' A' ' 63' ' ' ILE . 97.6 m-85 -72.04 166.93 21.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -74.06 178.68 4.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.8 pttt -69.7 -32.45 71.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 47.9 mtp -77.76 -43.89 29.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.1 m -73.33 -37.33 66.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -42.39 -44.98 4.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.697 ' O ' HG22 ' A' ' 50' ' ' VAL . 7.1 ptp -76.69 -35.65 57.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -53.1 -20.11 3.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.586 HD22 HG11 ' A' ' 70' ' ' VAL . 86.3 mt -96.02 -56.89 2.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.453 ' CG ' ' N ' ' A' ' 50' ' ' VAL . 4.2 pt-20 -49.59 -45.34 47.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.697 HG22 ' O ' ' A' ' 46' ' ' MET . 22.8 m -53.58 -39.42 37.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.725 ' HB1' HD11 ' A' ' 72' ' ' LEU . . . -70.63 -33.65 71.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.081 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.51 ' HB2' HD22 ' A' ' 72' ' ' LEU . 10.5 t90 -73.39 -35.97 65.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.424 ' NZ ' ' HB3' ' A' ' 53' ' ' LYS . 0.1 OUTLIER -76.81 -38.28 54.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.83 4.2 5.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt 61.64 36.43 16.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -76.75 162.36 27.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -88.01 -34.39 18.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -168.52 144.95 3.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.487 ' CG2' HD23 ' A' ' 48' ' ' LEU . 12.0 t -123.17 130.52 52.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.9 t -83.93 138.36 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.122 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.537 HG23 HG13 ' A' ' 63' ' ' ILE . 27.7 m -144.16 148.12 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.164 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -79.32 106.68 11.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.575 HD11 ' HE1' ' A' ' 40' ' ' PHE . 66.7 mt -118.86 131.53 71.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.424 ' CB ' HE21 ' A' ' 66' ' ' GLN . 10.6 m170 56.13 29.78 15.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 73.53 25.15 2.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.46 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.3 pt20 -145.3 132.88 20.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.98 130.74 47.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.671 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 4.2 m-85 -129.04 151.11 50.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 34.2 m -100.82 107.13 18.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.174 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.586 HG11 HD22 ' A' ' 48' ' ' LEU . 96.5 t -91.79 106.28 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 75' ' ' ASN . 6.7 t0 -83.75 115.97 22.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.725 HD11 ' HB1' ' A' ' 51' ' ' ALA . 6.8 mt -73.18 -42.45 62.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.8 m -45.71 -46.82 15.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.457 HG22 ' HB3' ' A' ' 71' ' ' ASP . 11.0 t -105.59 -18.01 14.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.186 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.9 OUTLIER 68.18 52.94 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 85' ' ' PHE . 77.3 m -142.61 133.27 25.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.95 147.89 22.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.083 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.772 HG23 HG22 ' A' ' 84' ' ' THR . 10.7 m -150.91 148.56 28.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.671 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -139.1 153.25 71.28 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.586 0.708 . . . . 0.0 111.078 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 2.45 3.52 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.728 2.285 . . . . 0.0 112.33 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 57.3 mm-40 -86.73 -36.38 18.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.942 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.428 ' C ' ' OE1' ' A' ' 83' ' ' GLN . . . 124.32 37.1 0.58 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.428 ' OE1' ' C ' ' A' ' 82' ' ' GLY . 1.1 mp0 -138.84 141.06 38.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.843 0.354 . . . . 0.0 110.931 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.772 HG22 HG23 ' A' ' 78' ' ' THR . 22.2 p -141.14 144.27 34.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.168 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.605 ' O ' HG23 ' A' ' 76' ' ' THR . 1.0 OUTLIER -135.98 175.01 9.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 46.6 m -119.49 123.97 45.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.2 m -97.33 139.12 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -126.4 142.66 51.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.959 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.509 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 68.0 ttt-85 -110.23 122.33 47.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.42 HD12 ' O ' ' A' ' 28' ' ' GLU . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.801 0.334 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.533 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 45.7 m95 -107.53 121.32 44.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -126.51 149.17 49.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 20.6 p90 -115.77 141.7 47.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.59 HG13 HG23 ' A' ' 37' ' ' THR . 2.2 mp -95.23 107.59 19.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' A' ' 36' ' ' ILE . 23.9 t70 -73.55 167.85 20.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.51 ' C ' ' O ' ' A' ' 33' ' ' ASP . 43.4 mttp -29.02 -72.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -122.46 18.07 10.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.5 mp -132.21 154.17 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.59 HG23 HG13 ' A' ' 32' ' ' ILE . 12.7 m -122.65 98.79 6.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -111.64 176.19 5.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.6 p -121.62 160.31 24.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 31' ' ' TYR . 87.1 m-85 -80.55 166.54 21.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -76.03 179.84 5.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.4 ptpp? -70.94 -34.39 71.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 9.3 mmt -73.54 -45.0 56.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.6 m -75.49 -36.7 60.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -44.0 -40.46 4.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.728 ' O ' HG22 ' A' ' 50' ' ' VAL . 6.5 ptp -81.44 -41.83 21.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.409 ' C ' HG22 ' A' ' 50' ' ' VAL . 62.2 mttm -46.22 -21.88 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.672 HD23 HG21 ' A' ' 59' ' ' THR . 62.3 mt -93.52 -68.83 0.78 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.401 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 6.9 pt-20 -40.5 -36.9 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 46' ' ' MET . 16.0 m -59.4 -44.04 91.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.155 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.539 ' HB1' HD11 ' A' ' 72' ' ' LEU . . . -71.86 -36.22 70.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.074 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.551 ' HB2' HD22 ' A' ' 72' ' ' LEU . 12.0 t90 -67.45 -34.37 77.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -83.67 -32.89 25.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.98 12.28 2.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.8 mtmt 55.1 39.75 31.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.413 ' HB2' ' HB1' ' A' ' 51' ' ' ALA . 13.1 mmmt -78.48 174.4 11.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -100.64 -35.77 9.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -170.61 149.37 3.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.672 HG21 HD23 ' A' ' 48' ' ' LEU . 10.7 t -126.65 138.31 53.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.5 t -89.94 136.95 22.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.8 m -144.02 141.2 24.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -76.61 104.58 7.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.54 HG22 ' CD2' ' A' ' 64' ' ' HIS . 91.1 mt -115.34 123.77 71.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.54 ' CD2' HG22 ' A' ' 63' ' ' ILE . 13.2 m170 64.49 37.05 8.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.0 m120 66.38 27.15 10.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.0 pt20 -147.19 129.42 15.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.86 133.12 55.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.636 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.6 m-85 -128.47 165.22 21.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 29.0 m -115.11 107.61 15.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.134 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 89.9 t -93.08 116.6 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 75' ' ' ASN . 2.2 t70 -94.7 117.65 30.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.551 HD22 ' HB2' ' A' ' 52' ' ' TRP . 7.9 mt -71.45 -40.59 70.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 t -45.95 -54.63 7.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.402 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 9.9 t -97.63 -24.1 15.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.156 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 71' ' ' ASP . 1.7 m120 74.81 48.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.653 HG23 ' O ' ' A' ' 85' ' ' PHE . 99.2 m -137.99 138.05 38.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -96.93 144.19 27.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.666 HG23 HG22 ' A' ' 84' ' ' THR . 6.5 m -146.08 149.46 34.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.636 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -140.48 153.25 68.2 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.581 0.705 . . . . 0.0 111.125 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 3.26 2.88 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.727 2.285 . . . . 0.0 112.321 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -88.08 -36.67 16.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.44 ' C ' ' OE1' ' A' ' 83' ' ' GLN . . . 123.65 35.8 0.67 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.562 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.44 ' OE1' ' C ' ' A' ' 82' ' ' GLY . 2.9 mp0 -137.01 140.71 42.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.893 0.378 . . . . 0.0 110.909 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.666 HG22 HG23 ' A' ' 78' ' ' THR . 19.5 p -139.86 146.0 38.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.653 ' O ' HG23 ' A' ' 76' ' ' THR . 0.9 OUTLIER -136.76 174.83 10.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.9 m -118.85 124.12 46.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.421 ' CG2' ' C ' ' A' ' 75' ' ' ASN . 2.1 m -97.72 137.9 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.134 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.692 ' HG3' HD11 ' A' ' 90' ' ' LEU . 10.0 pt20 -132.03 142.02 49.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.533 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 53.3 ttt-85 -99.69 132.31 45.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.692 HD11 ' HG3' ' A' ' 88' ' ' GLN . 1.7 mp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.833 0.349 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.504 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 43.8 m95 -121.62 118.84 30.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.452 ' HG2' ' CB ' ' A' ' 39' ' ' CYS . 45.0 mt-30 -123.33 155.21 37.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.544 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 13.8 p90 -123.93 144.2 49.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.533 HG13 HG23 ' A' ' 37' ' ' THR . 2.2 mp -98.28 109.04 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.147 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.518 ' O ' ' C ' ' A' ' 34' ' ' LYS . 18.4 t70 -74.76 167.83 21.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.518 ' C ' ' O ' ' A' ' 33' ' ' ASP . 35.0 mttt -28.51 -72.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -123.15 18.84 9.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.0 mp -132.26 154.1 39.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.181 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.533 HG23 HG13 ' A' ' 32' ' ' ILE . 19.2 m -123.43 103.97 8.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.152 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -120.27 -179.75 4.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.452 ' CB ' ' HG2' ' A' ' 30' ' ' GLN . 31.7 p -127.93 159.3 35.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.544 ' CZ ' ' HB3' ' A' ' 31' ' ' TYR . 99.6 m-85 -79.37 166.34 22.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -75.31 -178.03 3.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.8 pptp? -73.24 -26.29 61.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.473 ' HG3' ' N ' ' A' ' 44' ' ' THR . 16.2 ptm -79.75 -38.87 32.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.473 ' N ' ' HG3' ' A' ' 43' ' ' MET . 96.8 m -82.63 -38.69 23.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -38.89 -41.51 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.524 ' O ' HG22 ' A' ' 50' ' ' VAL . 8.8 ptp -77.55 -41.83 37.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -45.57 -22.71 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.442 HD11 ' CE2' ' A' ' 40' ' ' PHE . 94.2 mt -96.08 -56.81 2.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.438 ' C ' ' OE1' ' A' ' 49' ' ' GLU . 0.7 OUTLIER -50.06 -38.56 38.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.562 HG23 ' N ' ' A' ' 51' ' ' ALA . 34.2 m -62.33 -48.38 88.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.562 ' N ' HG23 ' A' ' 50' ' ' VAL . . . -64.44 -32.18 73.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.1 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.47 ' HB2' HD22 ' A' ' 72' ' ' LEU . 14.1 t90 -74.6 -39.57 62.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.42 ' NZ ' ' HB3' ' A' ' 53' ' ' LYS . 0.2 OUTLIER -71.21 -36.98 72.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.87 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.09 10.1 3.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt 53.86 39.78 30.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.47 ' O ' HD12 ' A' ' 72' ' ' LEU . 41.3 mmtt -76.81 162.78 27.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.876 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -83.38 -38.17 22.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.0 p30 -166.84 152.44 7.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.468 ' HB ' ' CB ' ' A' ' 51' ' ' ALA . 14.0 t -132.12 131.58 42.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.4 t -86.45 134.09 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.553 HG23 HG13 ' A' ' 63' ' ' ILE . 32.8 m -138.53 151.98 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -81.37 106.39 13.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.667 HG22 ' CD2' ' A' ' 64' ' ' HIS . 81.6 mt -118.27 116.69 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.667 ' CD2' HG22 ' A' ' 63' ' ' ILE . 8.7 m170 66.41 40.52 3.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.5 t30 64.4 25.67 13.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.485 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.7 pt20 -146.97 127.19 13.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.73 133.3 55.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.576 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.8 m-85 -128.87 151.32 49.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 57.7 m -98.75 107.25 19.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.107 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.582 HG22 ' HB2' ' A' ' 77' ' ' ALA . 75.5 t -96.12 115.83 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 75' ' ' ASN . 3.5 t0 -93.44 121.86 35.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.47 HD12 ' O ' ' A' ' 56' ' ' LYS . 9.7 mt -73.22 -41.97 63.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.8 t -42.53 -53.02 4.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.824 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.448 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 10.2 t -102.01 -19.84 15.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.138 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.448 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.2 m120 70.79 52.66 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.724 HG23 ' O ' ' A' ' 85' ' ' PHE . 99.7 m -141.22 135.07 30.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.182 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.582 ' HB2' HG22 ' A' ' 70' ' ' VAL . . . -92.81 148.64 21.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.058 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.672 HG23 HG22 ' A' ' 84' ' ' THR . 21.1 m -151.38 145.37 25.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.576 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -135.4 153.71 78.06 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.56 0.695 . . . . 0.0 111.138 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 3.31 2.84 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.692 2.261 . . . . 0.0 112.385 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -88.17 -39.66 14.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 127.99 33.06 0.61 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.494 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.4 mp0 -134.38 136.02 43.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.911 0.386 . . . . 0.0 110.898 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.672 HG22 HG23 ' A' ' 78' ' ' THR . 33.1 p -135.72 144.99 46.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.201 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.724 ' O ' HG23 ' A' ' 76' ' ' THR . 0.8 OUTLIER -136.3 175.59 9.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.2 m -121.52 123.55 42.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.172 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.9 m -96.98 134.73 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.148 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.958 ' HG3' HD11 ' A' ' 90' ' ' LEU . 10.0 pt20 -126.15 142.94 51.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.504 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 43.5 ttt-85 -99.07 124.18 43.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.958 HD11 ' HG3' ' A' ' 88' ' ' GLN . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.885 0.374 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.51 ' CE3' ' HB3' ' A' ' 48' ' ' LEU . 44.5 m95 -133.15 121.32 22.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.945 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.423 ' HG2' ' CB ' ' A' ' 39' ' ' CYS . 40.7 mt-30 -124.59 154.0 41.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.568 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 14.7 p90 -122.71 147.08 46.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.525 HG13 HG23 ' A' ' 37' ' ' THR . 2.2 mp -100.07 108.42 22.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' A' ' 36' ' ' ILE . 13.9 t70 -73.89 167.8 20.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.509 ' C ' ' O ' ' A' ' 33' ' ' ASP . 33.8 mtpt -29.09 -70.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -123.94 18.7 9.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.522 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.0 mp -132.31 154.23 39.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.525 HG23 HG13 ' A' ' 32' ' ' ILE . 14.2 m -121.89 99.75 6.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.118 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -112.35 175.63 5.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.423 ' CB ' ' HG2' ' A' ' 30' ' ' GLN . 30.1 p -122.36 162.56 21.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 76.1 m-85 -85.69 161.83 19.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -71.58 174.22 6.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.401 ' O ' ' OD1' ' A' ' 45' ' ' ASN . 35.5 pttt -70.68 -24.87 62.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 30.6 mtp -82.74 -28.86 30.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 47' ' ' LYS . 62.2 m -88.46 -44.64 10.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.181 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 42' ' ' LYS . 0.2 OUTLIER -38.06 -41.31 0.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.575 ' O ' HG13 ' A' ' 50' ' ' VAL . 6.6 ptp -73.35 -37.97 65.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 44' ' ' THR . 49.4 mtmt -55.96 -27.28 51.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.51 ' HB3' ' CE3' ' A' ' 29' ' ' TRP . 92.8 mt -87.46 -49.03 7.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.465 ' CG ' ' N ' ' A' ' 50' ' ' VAL . 4.7 pt-20 -58.56 -45.67 88.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.575 HG13 ' O ' ' A' ' 46' ' ' MET . 29.3 m -51.93 -44.47 38.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.489 ' HB1' HD11 ' A' ' 72' ' ' LEU . . . -69.34 -34.17 74.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.598 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 9.4 t90 -74.83 -29.6 61.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.965 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.469 ' HE3' ' CE3' ' A' ' 52' ' ' TRP . 5.6 mmpt? -82.61 -34.34 27.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.837 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.0 12.99 2.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.114 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp 53.0 39.41 29.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -77.84 170.49 16.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -93.15 -36.28 12.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.2 p30 -167.18 153.42 8.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.9 t -131.65 136.18 47.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.7 t -90.07 135.03 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.143 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.6 HG23 HG13 ' A' ' 63' ' ' ILE . 30.0 m -139.83 154.88 24.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.3 mp0 -84.95 103.86 14.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.95 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.632 HG22 ' CD2' ' A' ' 64' ' ' HIS . 75.3 mt -116.31 114.6 46.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.632 ' CD2' HG22 ' A' ' 63' ' ' ILE . 8.5 m170 68.27 41.01 1.97 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 62.79 27.07 15.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.478 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 1.5 pt20 -147.16 127.37 13.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -61.85 132.94 54.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.508 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.9 m-85 -129.29 150.86 50.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 58.9 m -99.62 106.95 18.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.487 HG22 ' HB2' ' A' ' 77' ' ' ALA . 66.9 t -93.35 115.78 32.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 75' ' ' ASN . 7.0 t0 -92.81 119.39 32.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.489 HD11 ' HB1' ' A' ' 51' ' ' ALA . 8.7 mt -72.9 -40.73 65.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 t -43.92 -55.33 4.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.422 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 8.9 t -98.92 -18.78 17.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.121 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.422 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.3 m120 70.35 54.8 0.3 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.805 HG23 ' O ' ' A' ' 85' ' ' PHE . 97.8 m -144.76 136.29 25.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.487 ' HB2' HG22 ' A' ' 70' ' ' VAL . . . -92.89 146.28 23.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.689 HG23 HG22 ' A' ' 84' ' ' THR . 14.9 m -147.97 148.98 31.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.096 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.508 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -139.79 153.89 70.37 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.584 0.707 . . . . 0.0 111.072 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 3.31 2.84 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.665 2.244 . . . . 0.0 112.348 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -88.95 -38.2 14.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.954 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.7 34.88 0.62 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.52 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 11.6 mp0 -134.88 135.59 41.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.863 0.363 . . . . 0.0 110.903 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.689 HG22 HG23 ' A' ' 78' ' ' THR . 43.4 p -137.4 144.84 42.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.805 ' O ' HG23 ' A' ' 76' ' ' THR . 0.8 OUTLIER -137.63 174.01 11.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 28.7 m -115.86 123.84 49.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.179 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.6 m -97.42 135.2 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.586 ' HG3' HD11 ' A' ' 90' ' ' LEU . 9.0 pt20 -130.39 133.6 46.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.543 ' C ' HD13 ' A' ' 90' ' ' LEU . 50.0 ttt-85 -96.03 126.0 40.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.792 ' N ' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.807 0.337 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.483 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 43.1 m95 -128.38 119.35 24.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.423 ' HG2' ' CB ' ' A' ' 39' ' ' CYS . 48.3 mt-30 -124.63 148.02 48.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 29.6 p90 -116.64 142.54 46.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.547 HG13 HG23 ' A' ' 37' ' ' THR . 2.1 mp -96.32 107.25 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.189 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' A' ' 36' ' ' ILE . 6.2 t70 -73.62 167.5 21.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.511 ' C ' ' O ' ' A' ' 33' ' ' ASP . 11.3 mmmt -29.18 -72.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -122.19 17.92 10.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' A' ' 33' ' ' ASP . 3.2 mp -132.27 151.94 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.547 HG23 HG13 ' A' ' 32' ' ' ILE . 17.3 m -120.13 97.81 5.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -114.76 179.1 4.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.423 ' CB ' ' HG2' ' A' ' 30' ' ' GLN . 27.3 p -124.7 161.06 27.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 31' ' ' TYR . 98.2 m-85 -75.79 179.13 5.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.77 169.5 14.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -66.17 -15.95 63.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 62.4 mtm -92.26 -38.81 11.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 47' ' ' LYS . 99.2 m -78.45 -43.01 28.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -37.95 -39.63 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.741 ' O ' HG22 ' A' ' 50' ' ' VAL . 7.1 ptp -79.66 -37.7 35.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 44' ' ' THR . 45.3 mttm -54.51 -20.28 7.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.527 HD23 ' CG2' ' A' ' 59' ' ' THR . 69.3 mt -93.76 -59.61 1.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.441 ' HA ' ' CZ2' ' A' ' 29' ' ' TRP . 6.6 pt-20 -47.76 -42.8 26.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.741 HG22 ' O ' ' A' ' 46' ' ' MET . 20.6 m -58.38 -37.62 64.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.48 -30.99 57.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.095 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.539 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 10.0 t90 -75.38 -32.5 60.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -87.04 -30.72 20.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.69 7.93 4.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt 59.81 41.26 18.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.4 mmtm -85.81 165.42 16.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.19 -37.94 14.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.0 p30 -167.8 154.24 7.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.527 ' CG2' HD23 ' A' ' 48' ' ' LEU . 3.6 t -131.21 132.87 44.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 68' ' ' PHE . 53.9 t -88.79 133.92 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.104 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.577 HG23 HG13 ' A' ' 63' ' ' ILE . 33.5 m -137.21 154.49 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -82.13 104.99 12.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.577 HG13 HG23 ' A' ' 61' ' ' VAL . 85.5 mt -117.99 119.72 62.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.106 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.471 ' CD2' HG22 ' A' ' 63' ' ' ILE . 12.3 m170 64.36 38.6 7.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 64.37 27.2 13.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.485 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.3 pt20 -147.18 129.08 15.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.953 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.81 132.92 54.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.59 ' CZ ' ' CB ' ' A' ' 79' ' ' ALA . 4.1 m-85 -130.03 151.19 50.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 32.6 m -99.85 108.65 20.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.451 HG22 ' HB2' ' A' ' 77' ' ' ALA . 81.8 t -95.5 112.31 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 75' ' ' ASN . 2.9 t70 -90.26 119.38 30.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.499 HD22 ' HB2' ' A' ' 52' ' ' TRP . 6.3 mt -72.43 -41.03 66.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.9 t -42.33 -51.2 4.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.447 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 8.9 t -103.77 -20.27 14.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.164 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.447 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.4 m120 72.47 52.92 0.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.795 HG23 ' O ' ' A' ' 85' ' ' PHE . 95.8 m -142.42 135.69 28.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.451 ' HB2' HG22 ' A' ' 70' ' ' VAL . . . -93.76 146.71 23.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.115 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.474 HG23 HG22 ' A' ' 84' ' ' THR . 45.4 m -145.02 157.3 44.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.59 ' CB ' ' CZ ' ' A' ' 68' ' ' PHE . . . -147.51 152.49 42.02 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.583 0.706 . . . . 0.0 111.056 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 3.33 2.84 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.685 2.256 . . . . 0.0 112.323 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -89.48 -39.2 13.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 127.01 34.39 0.59 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.521 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 12.2 mp0 -133.98 134.84 42.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.908 0.385 . . . . 0.0 110.904 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.474 HG22 HG23 ' A' ' 78' ' ' THR . 44.7 p -135.99 139.05 42.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.795 ' O ' HG23 ' A' ' 76' ' ' THR . 1.0 OUTLIER -130.36 174.17 10.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.6 m -119.25 124.21 46.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.151 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.7 m -97.69 137.39 25.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.09 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.559 ' HG3' HD11 ' A' ' 90' ' ' LEU . 10.8 pt20 -126.61 144.03 51.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.483 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 55.3 ttt-85 -104.02 129.21 51.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.559 HD11 ' HG3' ' A' ' 88' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.938 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.821 0.343 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.533 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 45.3 m95 -130.89 118.28 20.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -122.59 152.45 40.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.552 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 25.6 p90 -119.89 138.66 53.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.961 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.574 HG13 HG23 ' A' ' 37' ' ' THR . 2.2 mp -93.45 106.54 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.522 ' OD2' HD13 ' A' ' 36' ' ' ILE . 28.5 t70 -73.67 167.62 21.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.517 ' C ' ' O ' ' A' ' 33' ' ' ASP . 21.7 mtpt -28.41 -73.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -122.42 18.76 10.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.522 HD13 ' OD2' ' A' ' 33' ' ' ASP . 3.0 mp -132.26 148.3 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.574 HG23 HG13 ' A' ' 32' ' ' ILE . 13.1 m -118.06 98.08 6.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.111 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -110.94 177.09 4.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.5 p -124.3 159.54 30.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.552 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 64.7 m-85 -81.84 162.0 22.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -69.91 177.51 3.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -71.75 -28.49 63.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.41 ' HG3' ' N ' ' A' ' 44' ' ' THR . 19.2 ptp -79.24 -44.29 22.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.41 ' N ' ' HG3' ' A' ' 43' ' ' MET . 91.2 m -73.4 -37.4 65.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -41.58 -46.77 3.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.558 ' O ' HG13 ' A' ' 50' ' ' VAL . 9.1 ptp -74.49 -38.03 62.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -50.06 -22.99 1.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.7 mt -96.05 -49.77 5.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -55.03 -36.5 65.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.919 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 46' ' ' MET . 35.9 m -60.38 -43.42 93.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.114 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.468 ' N ' HG23 ' A' ' 50' ' ' VAL . . . -68.07 -32.99 73.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.595 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 8.4 t90 -73.64 -30.44 62.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -85.17 -31.24 23.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.91 10.55 3.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt 57.77 37.06 27.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -81.39 167.62 19.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -95.25 -34.66 12.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -164.55 150.01 10.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.412 ' HB ' ' CB ' ' A' ' 51' ' ' ALA . 4.9 t -127.31 140.66 52.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.16 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.0 t -93.96 134.1 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.413 HG23 HG13 ' A' ' 63' ' ' ILE . 29.8 m -140.52 151.54 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.165 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -81.29 107.36 14.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.469 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 85.2 mt -119.48 124.65 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 15.9 m170 62.45 31.09 17.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.6 m120 70.99 27.68 3.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.469 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.4 pt20 -146.89 133.79 20.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.1 130.49 45.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.669 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.8 m-85 -129.35 152.58 48.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.6 m -105.3 109.56 21.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.571 HG22 ' HB2' ' A' ' 77' ' ' ALA . 53.3 t -95.29 111.4 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 75' ' ' ASN . 11.6 t70 -88.36 116.32 26.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.5 mt -70.33 -41.59 73.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.8 m -43.55 -51.86 6.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.44 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 9.7 t -102.74 -16.22 16.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.167 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.7 OUTLIER 67.47 54.1 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.751 HG23 ' O ' ' A' ' 85' ' ' PHE . 89.9 m -143.24 135.11 26.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.571 ' HB2' HG22 ' A' ' 70' ' ' VAL . . . -92.94 147.59 22.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.665 HG23 HG22 ' A' ' 84' ' ' THR . 10.6 m -149.05 147.31 28.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.669 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -138.52 153.21 72.36 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.565 0.697 . . . . 0.0 111.107 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 2.75 3.24 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.37 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 -87.4 -35.8 18.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.446 ' C ' ' OE1' ' A' ' 83' ' ' GLN . . . 123.65 35.74 0.67 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.479 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.446 ' OE1' ' C ' ' A' ' 82' ' ' GLY . 7.6 mp0 -136.33 141.87 43.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 0.0 110.904 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.665 HG22 HG23 ' A' ' 78' ' ' THR . 25.3 p -141.4 144.51 34.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.751 ' O ' HG23 ' A' ' 76' ' ' THR . 1.0 OUTLIER -136.69 175.18 9.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.9 m -119.49 124.48 46.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.148 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.5 m -97.09 137.79 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.694 ' HG3' HD11 ' A' ' 90' ' ' LEU . 12.7 pt20 -128.88 139.53 52.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.533 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 51.6 ttt-85 -99.32 129.7 45.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.694 HD11 ' HG3' ' A' ' 88' ' ' GLN . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.827 0.346 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.436 ' CZ2' ' HA ' ' A' ' 49' ' ' GLU . 50.1 m95 -129.62 112.48 13.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.932 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.418 ' HG2' ' CB ' ' A' ' 39' ' ' CYS . 49.4 mt-30 -120.83 151.96 38.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.569 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 22.8 p90 -117.66 140.48 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.608 HG13 HG23 ' A' ' 37' ' ' THR . 2.3 mp -95.74 106.17 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.101 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.516 ' O ' ' C ' ' A' ' 34' ' ' LYS . 28.5 t0 -73.8 167.84 20.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.516 ' C ' ' O ' ' A' ' 33' ' ' ASP . 19.7 mtpp -27.91 -74.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -121.27 18.04 11.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.508 ' O ' ' N ' ' A' ' 33' ' ' ASP . 3.5 mp -132.25 147.16 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.608 HG23 HG13 ' A' ' 32' ' ' ILE . 15.7 m -116.62 100.97 8.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -114.94 173.44 6.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.418 ' CB ' ' HG2' ' A' ' 30' ' ' GLN . 30.8 p -121.6 158.03 29.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 83.3 m-85 -77.82 178.21 7.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.441 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 10.6 t70 -82.11 179.51 7.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.852 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.0 pttt -71.2 -34.2 70.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.439 ' HA ' ' CE ' ' A' ' 46' ' ' MET . 9.5 mmt -78.29 -42.02 32.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 92.0 m -76.55 -39.8 51.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 41' ' ' ASP . 0.9 OUTLIER -45.45 -41.08 9.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.529 ' O ' HG22 ' A' ' 50' ' ' VAL . 5.5 ptp -79.03 -42.13 27.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.407 ' N ' ' CG ' ' A' ' 46' ' ' MET . 30.9 mttm -45.28 -24.6 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.416 HD22 HG11 ' A' ' 70' ' ' VAL . 33.4 mt -87.69 -50.7 6.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 50' ' ' VAL . 4.9 pt-20 -55.14 -45.82 75.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.529 HG22 ' O ' ' A' ' 46' ' ' MET . 13.2 m -53.67 -33.4 22.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.463 ' HB1' HD11 ' A' ' 72' ' ' LEU . . . -79.68 -31.31 41.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.603 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 9.8 t90 -72.79 -28.85 62.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -90.07 -29.89 18.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.56 12.53 2.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.039 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt 54.86 40.9 32.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -79.63 170.09 17.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.5 tptp -101.41 -32.44 10.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.839 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -174.3 140.93 0.69 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.7 t -120.39 140.11 51.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.7 t -92.5 137.32 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 30.0 m -143.46 153.11 16.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -82.2 108.38 15.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.642 ' CG2' ' CD2' ' A' ' 64' ' ' HIS . 67.3 mt -120.59 110.53 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.642 ' CD2' ' CG2' ' A' ' 63' ' ' ILE . 6.8 m170 72.0 40.4 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 62.93 28.74 16.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 3.3 pt20 -147.19 132.54 18.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -63.93 130.56 44.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.67 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.8 m-85 -129.32 153.69 47.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.3 m -106.34 109.96 22.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.416 HG11 HD22 ' A' ' 48' ' ' LEU . 84.1 t -94.09 109.51 22.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -86.58 119.38 26.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.463 HD11 ' HB1' ' A' ' 51' ' ' ALA . 10.3 mt -73.22 -40.91 64.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.9 t -43.39 -54.85 4.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.447 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 12.9 t -99.66 -19.39 16.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.187 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.447 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.2 m120 71.5 50.74 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.818 HG23 ' O ' ' A' ' 85' ' ' PHE . 97.8 m -140.26 135.8 32.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.404 ' HB3' ' HD2' ' A' ' 85' ' ' PHE . . . -92.82 146.19 23.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.762 HG23 HG22 ' A' ' 84' ' ' THR . 8.3 m -147.41 147.63 30.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.67 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -138.67 153.36 72.22 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.636 0.732 . . . . 0.0 111.074 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 3.26 2.88 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.648 2.232 . . . . 0.0 112.375 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.1 mm-40 -87.84 -37.23 16.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.02 36.1 0.6 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.525 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -136.92 139.44 41.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.914 0.388 . . . . 0.0 110.929 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.762 HG22 HG23 ' A' ' 78' ' ' THR . 30.5 p -140.27 141.0 35.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.818 ' O ' HG23 ' A' ' 76' ' ' THR . 0.7 OUTLIER -133.39 174.21 10.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 91.6 m -117.81 123.74 46.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.41 HG22 ' C ' ' A' ' 75' ' ' ASN . 3.2 m -97.03 137.58 24.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.161 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -125.99 139.31 53.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.417 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 68.0 ttt-85 -106.27 126.23 51.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.457 ' O ' ' CD1' ' A' ' 90' ' ' LEU . 9.7 tp10 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.842 0.353 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.454 ' NE1' ' HB3' ' A' ' 49' ' ' GLU . 33.2 m95 -97.84 124.44 42.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -125.01 155.9 38.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 12.7 p90 -122.58 140.63 52.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.506 HG13 HG23 ' A' ' 37' ' ' THR . 1.9 mp -92.98 108.85 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.146 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' A' ' 36' ' ' ILE . 20.8 t70 -73.8 167.62 21.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 33' ' ' ASP . 4.9 mmmm -30.83 -70.67 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -122.49 16.84 10.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.54 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.9 mp -132.28 154.1 39.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.506 HG23 HG13 ' A' ' 32' ' ' ILE . 19.6 m -120.82 98.89 6.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.187 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -109.61 177.38 4.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.5 m -121.38 162.72 19.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.589 ' CD2' ' CD1' ' A' ' 48' ' ' LEU . 46.5 m-85 -80.4 174.19 11.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -83.25 179.28 7.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 43' ' ' MET . 28.5 pttt -69.85 -34.99 74.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.458 ' HG3' ' N ' ' A' ' 44' ' ' THR . 20.4 ptp -79.09 -40.21 31.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.458 ' N ' ' HG3' ' A' ' 43' ' ' MET . 24.6 m -74.11 -35.08 64.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.18 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -46.52 -45.39 18.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.582 ' O ' HG22 ' A' ' 50' ' ' VAL . 10.6 ptp -77.02 -39.07 51.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.0 mttm -49.29 -26.06 2.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.589 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 19.4 mt -91.53 -57.99 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.955 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.454 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 0.3 OUTLIER -49.44 -37.69 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.604 HG23 ' N ' ' A' ' 51' ' ' ALA . 33.1 m -62.82 -51.11 76.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.604 ' N ' HG23 ' A' ' 50' ' ' VAL . . . -60.89 -32.27 71.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.054 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.547 ' CE3' ' NH1' ' A' ' 89' ' ' ARG . 11.2 t90 -71.47 -36.39 71.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -80.79 -33.19 35.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.8 4.21 6.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.074 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.6 mttt 62.54 41.4 9.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -80.61 173.84 12.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.6 tppt? -104.27 -29.89 10.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -172.34 138.16 0.92 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.568 HG21 HD23 ' A' ' 48' ' ' LEU . 9.1 t -116.02 133.16 56.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.5 t -87.88 135.0 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.186 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.559 HG23 HG13 ' A' ' 63' ' ' ILE . 30.1 m -143.17 149.56 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -79.67 102.3 8.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.559 HG13 HG23 ' A' ' 61' ' ' VAL . 89.0 mt -115.07 126.51 72.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.451 ' CD2' HG22 ' A' ' 63' ' ' ILE . 11.9 m170 62.4 34.33 15.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 66.79 27.82 9.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.484 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 0.6 OUTLIER -147.11 134.59 20.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -62.17 130.36 45.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.691 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.5 m-85 -129.18 164.93 22.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.8 m -115.85 109.51 17.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.539 HG11 HD22 ' A' ' 48' ' ' LEU . 56.1 t -90.83 105.0 15.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.133 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 75' ' ' ASN . 1.9 t70 -81.89 119.59 24.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 52' ' ' TRP . 15.0 mt -80.05 -39.4 29.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 m -44.28 -32.9 1.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.8 t -127.11 -13.46 5.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 71' ' ' ASP . 2.9 m-20 69.47 54.87 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.708 HG23 ' O ' ' A' ' 85' ' ' PHE . 98.7 m -141.91 135.57 29.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.158 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -95.03 149.35 21.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.095 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.716 HG23 HG22 ' A' ' 84' ' ' THR . 8.5 m -151.07 148.33 28.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.691 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -139.37 152.93 70.31 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 0.0 111.083 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 2.05 3.87 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.679 2.252 . . . . 0.0 112.363 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 64.9 mm-40 -86.22 -35.7 19.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.943 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 123.47 33.03 0.84 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -133.82 136.26 44.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.918 0.389 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.716 HG22 HG23 ' A' ' 78' ' ' THR . 32.1 p -134.66 142.49 46.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.708 ' O ' HG23 ' A' ' 76' ' ' THR . 0.8 OUTLIER -135.06 175.4 9.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.828 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 92.1 m -124.33 125.83 44.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.161 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.556 HG12 ' HE2' ' A' ' 40' ' ' PHE . 2.7 m -99.53 140.9 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -132.63 135.41 45.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.547 ' NH1' ' CE3' ' A' ' 52' ' ' TRP . 34.9 ttt180 -89.09 130.98 35.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.465 ' N ' HD12 ' A' ' 90' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.835 0.35 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.52 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 37.8 m95 -118.24 126.64 52.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -127.73 155.58 43.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.564 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 34.6 p90 -122.04 138.15 54.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.989 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.489 HD12 ' OE1' ' A' ' 88' ' ' GLN . 2.1 mp -90.89 106.79 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' A' ' 36' ' ' ILE . 19.7 t70 -73.48 167.83 20.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.515 ' C ' ' O ' ' A' ' 33' ' ' ASP . 4.4 mtpm? -28.66 -73.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.403 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 32.7 t30 -121.65 17.09 11.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.522 ' O ' ' N ' ' A' ' 33' ' ' ASP . 3.1 mp -132.18 148.29 32.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.472 HG23 HG13 ' A' ' 32' ' ' ILE . 26.1 m -116.61 99.64 7.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.165 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -111.69 172.77 6.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.5 p -117.51 167.37 11.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 55.2 m-85 -90.24 168.64 11.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -81.36 172.98 12.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.29 -19.22 63.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 17.8 mtm -85.7 -29.99 23.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 47' ' ' LYS . 17.9 m -89.12 -48.25 7.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.171 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.444 ' ND2' ' C ' ' A' ' 45' ' ' ASN . 0.1 OUTLIER -35.0 -36.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.716 ' O ' HG22 ' A' ' 50' ' ' VAL . 6.9 ptp -76.8 -45.36 29.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.833 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 44' ' ' THR . 42.4 mtmt -49.91 -23.05 1.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.588 ' HA ' HG21 ' A' ' 59' ' ' THR . 19.4 mt -92.35 -65.24 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.401 ' CG ' ' N ' ' A' ' 50' ' ' VAL . 6.1 pt-20 -43.45 -42.01 4.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.716 HG22 ' O ' ' A' ' 46' ' ' MET . 22.0 m -55.61 -39.35 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.562 ' CB ' HD11 ' A' ' 72' ' ' LEU . . . -74.97 -31.84 61.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.067 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.551 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 9.8 t90 -74.34 -31.6 62.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.1 mmmt -89.38 -26.08 21.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.47 13.93 5.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm 53.76 39.02 29.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.7 mmtm -85.0 164.1 18.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.841 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -88.47 -35.34 17.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.6 p30 -170.49 154.1 4.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.588 HG21 ' HA ' ' A' ' 48' ' ' LEU . 3.9 t -128.43 133.99 48.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.7 t -85.79 135.27 25.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.176 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 18.4 m -141.62 147.84 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.2 mp0 -78.43 108.39 11.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.475 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 71.5 mt -121.38 124.65 72.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 18.1 m170 62.55 34.48 15.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.7 m120 67.16 28.03 8.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.475 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.4 pt20 -147.09 133.34 19.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -62.03 131.4 49.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.647 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.7 m-85 -129.48 156.97 43.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.4 m -109.22 108.49 19.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.442 HG11 HD22 ' A' ' 48' ' ' LEU . 80.8 t -92.31 112.2 25.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -90.19 123.99 34.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.562 HD11 ' CB ' ' A' ' 51' ' ' ALA . 7.5 mt -80.56 -31.17 36.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.9 t -46.1 -42.21 13.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.9 t -121.1 -11.88 8.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.175 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.456 ' HB3' HG23 ' A' ' 87' ' ' VAL . 2.5 m-20 70.77 54.97 0.26 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.827 HG23 ' O ' ' A' ' 85' ' ' PHE . 93.5 m -141.88 136.44 30.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.144 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -95.17 148.58 22.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.091 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.807 HG23 HG22 ' A' ' 84' ' ' THR . 11.3 m -148.43 148.8 30.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.647 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -139.31 152.87 70.31 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.541 0.686 . . . . 0.0 111.111 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 2.36 3.58 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.356 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -86.98 -36.1 18.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.413 ' C ' ' OE1' ' A' ' 83' ' ' GLN . . . 123.73 34.23 0.76 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.513 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.413 ' OE1' ' C ' ' A' ' 82' ' ' GLY . 11.4 mp0 -136.56 135.26 38.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.917 0.389 . . . . 0.0 110.872 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.807 HG22 HG23 ' A' ' 78' ' ' THR . 31.3 p -136.37 142.55 43.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.827 ' O ' HG23 ' A' ' 76' ' ' THR . 0.7 OUTLIER -133.38 175.44 9.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.3 m -120.9 125.35 47.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.475 HG12 ' HE2' ' A' ' 40' ' ' PHE . 1.8 m -96.87 139.15 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.159 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.489 ' OE1' HD12 ' A' ' 32' ' ' ILE . 17.5 pm0 -125.49 138.55 53.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.52 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 54.1 ttt-85 -98.36 126.41 43.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.486 ' N ' HD12 ' A' ' 90' ' ' LEU . 1.9 mp . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.527 ' O ' HD12 ' A' ' 90' ' ' LEU . 3.2 tp10 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.852 0.358 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.536 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 42.7 m95 -106.7 123.23 47.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -128.53 150.53 50.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 32.1 p90 -116.5 144.3 44.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.597 HG13 HG23 ' A' ' 37' ' ' THR . 2.3 mp -99.64 105.53 17.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.148 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 36' ' ' ILE . 18.9 t70 -73.44 167.77 20.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.51 ' C ' ' O ' ' A' ' 33' ' ' ASP . 12.2 mmmt -28.72 -73.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.407 ' H ' HD12 ' A' ' 36' ' ' ILE . 8.6 t-20 -121.87 18.52 11.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.527 ' O ' ' N ' ' A' ' 33' ' ' ASP . 2.2 mp -132.14 146.22 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.138 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.597 HG23 HG13 ' A' ' 32' ' ' ILE . 17.8 m -117.48 97.75 6.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -110.94 179.15 4.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.3 p -122.3 164.91 17.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 31' ' ' TYR . 81.2 m-85 -84.82 162.38 19.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -67.81 179.16 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -73.25 -35.84 66.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.8 mtp -75.54 -38.81 59.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 90.0 m -75.77 -39.35 57.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.448 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 4.2 t-20 -39.35 -48.44 1.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.821 ' O ' HG22 ' A' ' 50' ' ' VAL . 7.6 ptp -73.3 -39.69 65.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.5 mttm -48.32 -22.56 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.5 HD22 HG11 ' A' ' 70' ' ' VAL . 62.5 mt -92.74 -57.13 2.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -50.22 -41.09 49.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.821 HG22 ' O ' ' A' ' 46' ' ' MET . 10.8 m -58.2 -35.15 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.672 ' HB1' HD11 ' A' ' 72' ' ' LEU . . . -77.46 -30.76 53.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.051 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.533 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 10.2 t90 -76.5 -32.34 58.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt -85.68 -31.39 22.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.75 14.97 1.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.1 mtmm 51.47 38.47 22.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp -81.14 163.28 23.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.62 -35.46 18.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.5 p30 -172.43 153.44 2.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.2 t -128.68 136.8 51.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.135 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.0 t -87.63 139.5 17.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.578 HG23 HG13 ' A' ' 63' ' ' ILE . 33.1 m -144.6 153.97 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -84.42 103.95 14.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.578 HG13 HG23 ' A' ' 61' ' ' VAL . 78.6 mt -117.22 123.25 71.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.494 ' CD2' HG22 ' A' ' 63' ' ' ILE . 12.4 m170 63.5 37.43 10.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 64.6 27.67 13.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.474 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.7 pt20 -147.11 132.54 18.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.01 131.51 49.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.679 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.6 m-85 -129.34 156.26 44.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 48.1 m -107.08 109.02 20.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.079 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.5 HG11 HD22 ' A' ' 48' ' ' LEU . 69.4 t -92.77 113.7 28.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.086 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -92.68 120.29 32.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.81 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.672 HD11 ' HB1' ' A' ' 51' ' ' ALA . 6.9 mt -74.31 -41.41 61.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.4 t -44.14 -55.53 4.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.817 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.45 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 9.0 t -97.55 -20.88 17.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.156 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.45 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.3 m120 71.67 49.8 0.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.782 HG23 ' O ' ' A' ' 85' ' ' PHE . 97.6 m -140.12 136.17 33.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.407 ' HB3' ' HD2' ' A' ' 85' ' ' PHE . . . -93.02 145.44 24.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.703 HG23 HG22 ' A' ' 84' ' ' THR . 9.0 m -146.58 149.7 34.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.679 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -141.41 153.31 65.71 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.604 0.716 . . . . 0.0 111.078 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 3.12 2.95 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.723 2.282 . . . . 0.0 112.329 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 -88.03 -36.21 17.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 123.7 33.54 0.8 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -134.02 139.75 46.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.92 0.391 . . . . 0.0 110.867 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.703 HG22 HG23 ' A' ' 78' ' ' THR . 31.4 p -140.31 143.07 35.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.782 ' O ' HG23 ' A' ' 76' ' ' THR . 0.8 OUTLIER -135.06 175.16 9.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.2 m -118.55 124.25 47.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.095 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.421 HG22 ' C ' ' A' ' 75' ' ' ASN . 3.0 m -97.08 136.16 28.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.464 ' HG3' HD11 ' A' ' 90' ' ' LEU . 13.8 pt20 -127.21 137.08 52.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.536 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 64.0 ttt-85 -100.22 128.79 46.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.527 HD12 ' O ' ' A' ' 28' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.836 0.351 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.478 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 41.3 m95 -111.91 127.06 55.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -127.25 149.52 49.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.514 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 22.3 p90 -118.76 140.28 50.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.504 HG13 HG23 ' A' ' 37' ' ' THR . 2.2 mp -94.04 108.49 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.144 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.518 ' O ' ' C ' ' A' ' 34' ' ' LYS . 30.9 t70 -73.34 167.71 20.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.518 ' C ' ' O ' ' A' ' 33' ' ' ASP . 48.1 mtmt -28.32 -71.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -123.91 18.6 9.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.5 mp -132.21 154.51 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.504 HG23 HG13 ' A' ' 32' ' ' ILE . 14.2 m -121.3 103.94 9.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -118.93 173.77 6.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.5 p -124.9 155.64 39.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.514 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 97.8 m-85 -74.88 175.23 8.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.401 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 59.0 m-20 -81.17 178.13 8.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -29.78 67.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.0 mmt -78.38 -50.16 12.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 78.0 m -71.27 -38.36 71.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.401 ' CB ' ' O ' ' A' ' 41' ' ' ASP . 1.1 t30 -40.97 -43.05 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.5 ptp -77.61 -38.82 47.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -48.28 -21.14 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.534 HD22 HG11 ' A' ' 70' ' ' VAL . 96.4 mt -92.27 -48.87 6.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 50' ' ' VAL . 6.8 pt-20 -56.18 -39.33 72.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.451 HG23 ' N ' ' A' ' 51' ' ' ALA . 30.4 m -56.62 -42.34 76.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.603 ' HB1' HD11 ' A' ' 72' ' ' LEU . . . -68.25 -33.03 73.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.117 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.431 ' C ' ' CE3' ' A' ' 52' ' ' TRP . 11.2 t90 -75.26 -39.2 60.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.5 -38.4 71.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.914 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.29 13.67 2.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.8 mtpp 50.26 38.21 16.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.5 mmtm -73.63 168.27 19.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -90.08 -38.15 13.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -168.29 147.38 4.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.521 ' HB ' ' HB2' ' A' ' 51' ' ' ALA . 5.6 t -124.92 131.68 53.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 32.5 t -86.21 140.05 16.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.159 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.56 HG23 HG13 ' A' ' 63' ' ' ILE . 35.4 m -146.69 149.74 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -77.14 103.86 7.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.56 HG13 HG23 ' A' ' 61' ' ' VAL . 57.4 mt -117.33 124.79 73.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.414 ' C ' HD22 ' A' ' 65' ' ' ASN . 7.2 m170 62.87 35.77 13.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.414 HD22 ' C ' ' A' ' 64' ' ' HIS . 2.2 m-80 66.1 26.78 10.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 63' ' ' ILE . 2.3 pt20 -147.33 135.67 21.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -62.31 130.45 45.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.66 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.7 m-85 -129.41 156.35 44.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 49.6 m -107.61 110.42 22.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.534 HG11 HD22 ' A' ' 48' ' ' LEU . 86.6 t -93.54 111.69 25.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.089 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -91.47 122.05 33.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.603 HD11 ' HB1' ' A' ' 51' ' ' ALA . 8.7 mt -77.77 -36.47 50.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.3 t -40.36 -44.69 2.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.9 t -118.57 -15.52 9.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.185 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 72' ' ' LEU . 5.3 m-20 73.62 54.03 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.781 HG23 ' O ' ' A' ' 85' ' ' PHE . 86.1 m -140.06 135.81 33.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.71 146.83 23.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.88 HG23 HG22 ' A' ' 84' ' ' THR . 7.4 m -147.88 148.34 30.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.186 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.66 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -138.35 153.2 72.67 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.544 0.688 . . . . 0.0 111.134 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 3.14 2.94 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.692 2.261 . . . . 0.0 112.336 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -87.71 -37.48 16.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.78 34.9 0.62 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.467 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.1 mp0 -136.4 137.74 40.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.899 0.38 . . . . 0.0 110.906 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.88 HG22 HG23 ' A' ' 78' ' ' THR . 32.7 p -138.84 139.79 38.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.781 ' O ' HG23 ' A' ' 76' ' ' THR . 0.7 OUTLIER -131.41 174.31 10.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.7 m -119.64 124.27 45.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.101 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.401 HG23 ' HB3' ' A' ' 75' ' ' ASN . 0.8 OUTLIER -97.15 143.66 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 179.848 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.794 ' HG3' HD11 ' A' ' 90' ' ' LEU . 11.4 pt20 -132.82 141.27 48.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.478 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 47.7 ttt-85 -100.32 127.91 46.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.794 HD11 ' HG3' ' A' ' 88' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.833 0.349 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.51 ' CE2' ' HG3' ' A' ' 89' ' ' ARG . 56.7 m95 -110.6 121.45 45.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -124.83 148.71 48.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 19.5 p90 -117.97 145.67 44.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.492 HG13 HG23 ' A' ' 37' ' ' THR . 2.3 mp -99.68 105.95 18.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.139 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.53 ' O ' ' C ' ' A' ' 34' ' ' LYS . 15.5 t70 -73.77 167.66 20.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.53 ' C ' ' O ' ' A' ' 33' ' ' ASP . 21.3 mtpp -27.43 -74.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -122.27 19.01 10.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' A' ' 33' ' ' ASP . 3.2 mp -132.32 146.83 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.492 HG23 HG13 ' A' ' 32' ' ' ILE . 23.6 m -116.76 97.75 6.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -112.75 179.61 3.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.4 p -123.34 155.75 36.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 31' ' ' TYR . 90.7 m-85 -71.44 174.7 6.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.854 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -81.69 178.88 8.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -69.42 -35.51 75.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 22.8 mtp -75.49 -47.38 27.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.8 m -69.46 -37.99 77.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -41.07 -46.16 2.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.443 ' O ' HG13 ' A' ' 50' ' ' VAL . 8.0 ptp -78.02 -37.67 46.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -49.32 -28.41 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.408 HD11 ' CE2' ' A' ' 40' ' ' PHE . 95.7 mt -86.14 -53.41 5.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.448 ' CG ' ' N ' ' A' ' 50' ' ' VAL . 5.0 pt-20 -51.79 -45.07 63.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.513 HG23 ' N ' ' A' ' 51' ' ' ALA . 27.0 m -52.29 -46.65 45.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.513 ' N ' HG23 ' A' ' 50' ' ' VAL . . . -65.36 -30.13 70.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.055 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.423 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 10.3 t90 -73.0 -38.42 66.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -79.22 -30.91 43.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.97 16.37 1.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.071 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm 47.23 39.99 9.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.0 mmtm -81.77 160.73 23.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -84.86 -35.75 22.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.1 p30 -167.4 156.03 9.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.0 t -133.07 134.96 45.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.0 t -84.87 134.96 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.091 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.445 HG23 HG13 ' A' ' 63' ' ' ILE . 35.3 m -141.73 141.12 30.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -76.4 104.42 6.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.592 HG22 ' CD2' ' A' ' 64' ' ' HIS . 97.6 mt -114.69 119.54 61.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.592 ' CD2' HG22 ' A' ' 63' ' ' ILE . 11.3 m170 66.73 41.16 3.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 63.93 25.84 14.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.489 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 1.6 pt20 -147.12 126.85 13.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -61.66 134.56 56.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.522 ' CE2' ' CE2' ' A' ' 85' ' ' PHE . 3.5 m-85 -128.79 165.2 21.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 47.3 m -112.16 104.94 13.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.121 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.433 HG22 ' HB2' ' A' ' 77' ' ' ALA . 85.6 t -91.95 118.14 36.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 75' ' ' ASN . 3.1 t70 -97.22 122.27 40.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.2 mt -75.54 -41.22 55.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.6 t -42.58 -49.14 5.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.435 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 8.9 t -106.45 -20.43 13.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.118 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.435 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.5 m120 72.53 52.75 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.78 HG23 ' O ' ' A' ' 85' ' ' PHE . 98.5 m -142.54 137.08 29.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.433 ' HB2' HG22 ' A' ' 70' ' ' VAL . . . -95.13 146.47 24.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.478 HG22 ' N ' ' A' ' 79' ' ' ALA . 97.6 m -146.59 156.62 43.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.183 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.478 ' N ' HG22 ' A' ' 78' ' ' THR . . . -147.72 154.05 43.72 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.525 0.679 . . . . 0.0 111.179 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 1.18 4.65 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.66 2.24 . . . . 0.0 112.373 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -86.52 -39.08 16.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.403 ' C ' ' OE1' ' A' ' 83' ' ' GLN . . . 125.91 34.94 0.61 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.403 ' OE1' ' C ' ' A' ' 82' ' ' GLY . 2.7 mp0 -133.92 136.54 44.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.895 0.379 . . . . 0.0 110.868 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 43.7 p -137.35 141.25 41.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.78 ' O ' HG23 ' A' ' 76' ' ' THR . 0.9 OUTLIER -134.21 173.84 11.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.8 m -117.15 124.78 49.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.174 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.426 HG22 ' C ' ' A' ' 75' ' ' ASN . 2.9 m -97.22 136.86 26.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.136 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.594 ' HG3' HD11 ' A' ' 90' ' ' LEU . 12.2 pt20 -131.33 139.16 49.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.51 ' HG3' ' CE2' ' A' ' 29' ' ' TRP . 36.3 ttt180 -101.86 131.04 48.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.594 HD11 ' HG3' ' A' ' 88' ' ' GLN . 1.1 mp . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.531 ' O ' HD12 ' A' ' 90' ' ' LEU . 4.9 tp10 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.843 0.354 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.474 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 48.3 m95 -94.96 121.86 37.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -126.35 149.59 49.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.568 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 26.4 p90 -118.25 141.44 48.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.6 HG13 HG23 ' A' ' 37' ' ' THR . 2.1 mp -96.49 109.43 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.129 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' A' ' 36' ' ' ILE . 18.2 t70 -76.18 167.53 21.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.809 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.503 ' C ' ' O ' ' A' ' 33' ' ' ASP . 33.2 mmtt -29.72 -73.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -120.25 17.77 12.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.514 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.7 mp -132.33 154.17 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.6 HG23 HG13 ' A' ' 32' ' ' ILE . 16.9 m -123.13 98.13 5.74 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -110.72 177.78 4.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.5 p -129.2 154.03 47.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 31' ' ' TYR . 96.1 m-85 -71.76 172.59 9.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.87 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.68 -179.45 7.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -71.03 -35.5 72.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 42.8 mmm -72.58 -45.72 57.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.846 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.5 m -74.69 -38.86 62.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.149 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -40.24 -40.2 1.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.514 ' O ' HG13 ' A' ' 50' ' ' VAL . 7.2 ptp -81.54 -39.63 24.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.402 ' C ' HG22 ' A' ' 50' ' ' VAL . 51.4 mttm -47.89 -28.83 2.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.486 HD23 HG21 ' A' ' 59' ' ' THR . 81.7 mt -83.75 -59.56 2.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.507 ' CG ' ' N ' ' A' ' 50' ' ' VAL . 4.8 pt-20 -48.5 -48.98 37.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.514 HG13 ' O ' ' A' ' 46' ' ' MET . 34.7 m -46.84 -44.72 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.489 ' N ' HG23 ' A' ' 50' ' ' VAL . . . -68.85 -34.54 75.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.059 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.599 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 8.9 t90 -70.64 -29.23 65.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -87.09 -29.86 21.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.4 11.93 5.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm 56.3 38.44 29.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -75.62 175.37 8.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.94 -31.48 8.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -171.47 143.14 1.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.486 HG21 HD23 ' A' ' 48' ' ' LEU . 9.9 t -121.99 130.76 53.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.7 t -85.02 138.34 19.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.5 m -145.06 155.99 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.093 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -85.36 110.74 19.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.543 HG22 ' CD2' ' A' ' 64' ' ' HIS . 96.7 mt -123.02 123.86 68.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.543 ' CD2' HG22 ' A' ' 63' ' ' ILE . 13.5 m170 64.37 27.17 13.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 74.76 28.36 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.474 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.7 pt20 -147.12 134.77 21.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -62.2 129.04 38.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.648 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.9 m-85 -129.35 153.69 47.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 44.8 m -104.85 108.1 19.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.409 HG11 HD22 ' A' ' 48' ' ' LEU . 98.4 t -91.42 109.34 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -86.95 121.15 29.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.42 HD11 ' HB1' ' A' ' 51' ' ' ALA . 7.7 mt -74.99 -42.45 57.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.6 t -45.58 -54.2 7.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.4 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 8.2 t -96.79 -18.79 19.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.414 ' C ' HG22 ' A' ' 87' ' ' VAL . 1.3 m120 68.3 46.72 1.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.825 HG23 ' O ' ' A' ' 85' ' ' PHE . 97.5 m -138.89 136.11 35.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.85 147.19 23.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.785 HG23 HG22 ' A' ' 84' ' ' THR . 8.3 m -148.68 146.98 28.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.648 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -137.95 153.1 73.32 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.546 0.689 . . . . 0.0 111.122 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 2.8 3.19 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.247 . . . . 0.0 112.343 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 57.3 mm-40 -87.39 -35.92 18.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 124.38 33.75 0.75 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -134.98 141.43 46.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.351 . . . . 0.0 110.93 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.785 HG22 HG23 ' A' ' 78' ' ' THR . 30.2 p -142.3 141.73 32.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.173 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.825 ' O ' HG23 ' A' ' 76' ' ' THR . 1.0 OUTLIER -132.41 175.11 9.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.849 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.9 m -120.39 124.24 45.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.172 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.414 HG22 ' C ' ' A' ' 75' ' ' ASN . 2.7 m -97.14 136.07 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.461 ' HG3' HD11 ' A' ' 90' ' ' LEU . 9.0 pt20 -126.12 135.74 52.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.474 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 44.4 ttt-85 -95.9 128.95 43.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 28' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.537 ' O ' HD12 ' A' ' 90' ' ' LEU . 10.8 tt0 . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.801 0.334 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.511 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 47.6 m95 -97.67 121.99 40.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -124.86 153.16 43.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.95 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 20.5 p90 -121.67 139.63 53.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.903 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.525 HG13 HG23 ' A' ' 37' ' ' THR . 2.1 mp -94.06 108.03 20.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.124 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 36' ' ' ILE . 17.9 t70 -73.85 167.43 21.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.824 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.513 ' C ' ' O ' ' A' ' 33' ' ' ASP . 4.4 mmmm -28.95 -70.18 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -124.91 19.05 8.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.524 ' N ' HD12 ' A' ' 36' ' ' ILE . 3.5 mp -132.47 150.82 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.525 HG23 HG13 ' A' ' 32' ' ' ILE . 15.5 m -120.41 102.95 8.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -115.53 179.07 4.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.958 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.2 m -117.99 161.29 20.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.567 ' CD2' ' CD1' ' A' ' 48' ' ' LEU . 38.3 m-85 -79.78 158.3 26.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 43' ' ' MET . 1.0 OUTLIER -75.43 138.83 41.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 41' ' ' ASP . 18.2 ptpt -36.59 -29.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.506 ' N ' ' O ' ' A' ' 41' ' ' ASP . 87.5 mmm -74.12 -48.53 28.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 41' ' ' ASP . 88.6 m -72.54 -38.5 67.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 44' ' ' THR . 2.6 t-20 -36.8 -39.19 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.81 ' O ' HG13 ' A' ' 50' ' ' VAL . 4.6 ptp -85.46 -39.17 17.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 44' ' ' THR . 14.6 mtpt -54.51 -20.59 8.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.567 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 74.8 mt -95.65 -50.18 5.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.453 ' C ' ' OE1' ' A' ' 49' ' ' GLU . 0.8 OUTLIER -59.79 -34.63 73.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.81 HG13 ' O ' ' A' ' 46' ' ' MET . 30.0 m -56.95 -42.03 78.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.456 ' HB1' ' HB2' ' A' ' 56' ' ' LYS . . . -74.48 -30.57 61.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.543 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 10.1 t90 -71.09 -32.09 68.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -85.29 -30.49 23.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -83.13 15.72 2.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.088 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.4 mtpt 51.69 37.65 20.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.456 ' HB2' ' HB1' ' A' ' 51' ' ' ALA . 11.2 mmmt -76.8 166.82 22.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.25 -33.34 12.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -165.18 148.84 8.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.567 HG21 ' HA ' ' A' ' 48' ' ' LEU . 13.0 t -131.35 130.45 42.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 31.1 t -85.81 140.61 15.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.454 HG23 HG13 ' A' ' 63' ' ' ILE . 27.3 m -144.14 155.12 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 -83.69 106.78 15.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.591 HG22 ' CD2' ' A' ' 64' ' ' HIS . 85.7 mt -120.13 121.03 64.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.591 ' CD2' HG22 ' A' ' 63' ' ' ILE . 11.1 m170 64.04 36.59 9.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 66.59 25.87 9.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.469 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 1.2 pt20 -146.17 128.7 16.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.0 p-10 -61.81 132.28 52.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.525 ' CE2' ' CE2' ' A' ' 85' ' ' PHE . 4.1 m-85 -129.22 152.13 49.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.7 m -100.66 107.83 19.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.511 HG22 ' HB2' ' A' ' 77' ' ' ALA . 69.1 t -94.59 114.58 31.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.117 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 75' ' ' ASN . 1.6 t70 -92.02 123.43 35.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.7 mt -74.92 -43.25 55.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 t -41.54 -52.33 3.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.459 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 11.0 t -102.42 -18.97 15.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.108 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.459 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.1 m120 69.82 51.81 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.858 HG23 ' O ' ' A' ' 85' ' ' PHE . 99.2 m -141.08 137.2 32.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.161 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.511 ' HB2' HG22 ' A' ' 70' ' ' VAL . . . -93.24 149.76 20.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.632 HG23 HG22 ' A' ' 84' ' ' THR . 16.4 m -151.61 148.83 28.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.203 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.501 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -139.01 153.5 71.72 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.558 0.695 . . . . 0.0 111.11 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 3.51 2.74 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.659 2.24 . . . . 0.0 112.339 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -89.53 -36.76 15.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.34 35.29 0.62 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -133.4 139.23 46.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.361 . . . . 0.0 110.904 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.632 HG22 HG23 ' A' ' 78' ' ' THR . 43.4 p -139.04 144.52 38.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.138 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.858 ' O ' HG23 ' A' ' 76' ' ' THR . 1.4 m-85 -138.77 175.08 9.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 33.0 m -119.71 124.37 46.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.178 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.501 HG12 ' HE2' ' A' ' 40' ' ' PHE . 3.9 m -97.56 133.32 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.186 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.464 ' HG3' HD11 ' A' ' 90' ' ' LEU . 9.5 pt20 -126.89 140.74 52.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.511 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 35.7 ttt-85 -97.32 132.91 42.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.537 HD12 ' O ' ' A' ' 28' ' ' GLU . 1.3 mp . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.857 0.36 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.494 ' CE2' ' HG3' ' A' ' 89' ' ' ARG . 41.0 m95 -115.13 119.77 37.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.451 ' HG2' ' CB ' ' A' ' 39' ' ' CYS . 42.7 mt-30 -123.78 154.38 39.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.567 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 22.7 p90 -119.58 140.32 50.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.554 HG13 HG23 ' A' ' 37' ' ' THR . 2.4 mp -95.4 107.74 20.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.16 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 36' ' ' ILE . 6.8 t70 -73.74 167.62 21.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.505 ' C ' ' O ' ' A' ' 33' ' ' ASP . 7.9 mtmp? -28.63 -72.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -122.29 18.42 10.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 33' ' ' ASP . 3.3 mp -132.17 150.61 33.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.185 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.554 HG23 HG13 ' A' ' 32' ' ' ILE . 21.2 m -120.83 106.03 11.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -121.05 171.21 8.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.451 ' CB ' ' HG2' ' A' ' 30' ' ' GLN . 29.0 p -113.23 160.2 18.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.567 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 45.1 m-85 -78.38 173.79 11.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -71.58 164.2 26.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.3 ptpt -61.96 -25.7 67.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 91.1 mmm -89.5 -43.37 10.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 45' ' ' ASN . 91.9 m -66.76 -40.69 88.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.426 ' CG ' ' N ' ' A' ' 46' ' ' MET . 1.1 p-10 -37.78 -47.81 1.04 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.476 ' O ' HG22 ' A' ' 50' ' ' VAL . 7.2 ptp -75.12 -37.46 61.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.1 mttt -50.58 -18.67 0.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.544 HD22 HG11 ' A' ' 70' ' ' VAL . 75.9 mt -96.07 -39.21 9.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 50' ' ' VAL . 6.9 pt-20 -66.7 -40.09 88.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.938 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' ' 46' ' ' MET . 11.6 m -56.69 -34.97 43.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.506 ' CB ' HD11 ' A' ' 72' ' ' LEU . . . -76.71 -30.73 56.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.545 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 10.9 t90 -74.34 -30.31 61.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -88.16 -29.44 20.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.3 17.09 1.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt 51.21 39.05 22.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.9 mmtp -83.53 164.24 19.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.949 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.56 -34.52 12.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -165.2 151.86 10.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.6 t -130.11 131.42 45.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.151 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.2 t -84.43 137.33 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.441 HG23 HG13 ' A' ' 63' ' ' ILE . 30.4 m -144.24 149.33 17.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -79.28 104.54 9.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.488 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 67.4 mt -117.21 121.98 68.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.403 ' O ' ' HB2' ' A' ' 65' ' ' ASN . 13.7 m170 63.15 38.96 10.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 64' ' ' HIS . 3.7 m-20 64.35 26.75 13.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.488 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.5 pt20 -147.08 131.35 17.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.954 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -61.73 131.23 49.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.684 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.7 m-85 -129.29 152.21 49.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 56.0 m -102.83 108.77 20.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.544 HG11 HD22 ' A' ' 48' ' ' LEU . 74.4 t -92.7 110.76 23.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 75' ' ' ASN . 7.1 t0 -89.39 116.92 27.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.506 HD11 ' CB ' ' A' ' 51' ' ' ALA . 10.3 mt -72.4 -43.45 63.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 m -42.58 -52.48 4.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.816 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.4 t -100.75 -16.24 17.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.127 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.47 ' C ' HG22 ' A' ' 87' ' ' VAL . 1.4 m120 67.06 52.6 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.842 HG23 ' O ' ' A' ' 85' ' ' PHE . 97.7 m -143.87 135.55 26.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.79 150.28 20.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.791 HG23 HG22 ' A' ' 84' ' ' THR . 7.3 m -152.04 147.41 26.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.141 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.684 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -137.72 153.5 74.05 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.537 0.684 . . . . 0.0 111.089 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 2.26 3.7 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.66 2.24 . . . . 0.0 112.316 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -86.2 -37.69 18.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.81 36.36 0.55 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.489 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -138.01 140.27 40.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.791 HG22 HG23 ' A' ' 78' ' ' THR . 22.7 p -139.57 144.1 37.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.188 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.842 ' O ' HG23 ' A' ' 76' ' ' THR . 1.1 m-85 -136.25 175.03 9.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.6 m -118.1 125.46 50.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.184 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.47 HG22 ' C ' ' A' ' 75' ' ' ASN . 3.7 m -97.32 139.22 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.637 ' HG3' HD11 ' A' ' 90' ' ' LEU . 17.4 pt20 -130.7 135.61 47.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.494 ' HG3' ' CE2' ' A' ' 29' ' ' TRP . 44.5 ttt180 -98.0 127.13 43.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.637 HD11 ' HG3' ' A' ' 88' ' ' GLN . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.833 0.349 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.514 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 53.0 m95 -120.98 115.17 22.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -121.77 152.06 39.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.506 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 17.9 p90 -120.79 142.36 49.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.51 HG13 HG23 ' A' ' 37' ' ' THR . 2.2 mp -95.37 108.41 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.523 ' N ' ' O ' ' A' ' 36' ' ' ILE . 25.8 t70 -74.34 167.78 20.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.522 ' C ' ' O ' ' A' ' 33' ' ' ASP . 28.1 mtmm -28.02 -71.61 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -123.97 19.14 9.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.6 mp -132.33 154.35 39.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.51 HG23 HG13 ' A' ' 32' ' ' ILE . 17.1 m -122.44 98.55 5.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.165 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 -112.39 177.36 4.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.7 p -126.64 157.79 38.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.506 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 89.9 m-85 -78.38 168.23 20.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -79.23 -179.42 6.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.861 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -70.96 -30.81 67.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -75.23 -45.0 43.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 85.2 m -76.47 -37.62 56.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.428 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 2.3 t-20 -42.01 -45.92 4.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.577 ' O ' HG22 ' A' ' 50' ' ' VAL . 8.4 ptp -73.01 -38.81 66.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -50.73 -29.59 11.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.593 HD22 HG11 ' A' ' 70' ' ' VAL . 95.9 mt -84.95 -59.17 2.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.961 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.499 ' CG ' ' N ' ' A' ' 50' ' ' VAL . 6.7 pt-20 -48.75 -48.18 41.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 46' ' ' MET . 27.3 m -49.25 -46.82 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.643 ' CB ' HD11 ' A' ' 72' ' ' LEU . . . -65.34 -36.12 83.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.132 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.591 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 9.0 t90 -72.51 -30.55 64.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.47 ' HE3' ' CE3' ' A' ' 52' ' ' TRP . 6.1 mmpt? -82.41 -34.56 28.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.978 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.51 7.86 4.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.0 mttp 62.53 35.6 14.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -81.18 165.93 21.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -98.77 -31.85 11.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -162.42 144.9 11.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.824 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.471 ' HB ' ' CB ' ' A' ' 51' ' ' ALA . 9.1 t -128.36 132.0 48.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.148 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.9 t -81.18 138.15 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.079 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.482 HG23 HG13 ' A' ' 63' ' ' ILE . 33.8 m -145.94 153.58 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -84.72 105.59 15.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.486 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 56.3 mt -119.19 125.64 74.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.106 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 18.0 m170 62.32 30.55 17.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 70.89 27.91 3.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.486 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 0.4 OUTLIER -146.91 135.48 22.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.93 129.07 39.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.643 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.7 m-85 -129.15 154.99 46.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 37.4 m -107.16 106.91 17.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.593 HG11 HD22 ' A' ' 48' ' ' LEU . 85.1 t -90.59 104.7 15.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -81.47 116.53 21.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.643 HD11 ' CB ' ' A' ' 51' ' ' ALA . 6.6 mt -78.0 -37.13 47.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 t -44.76 -37.85 4.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.1 t -120.72 -17.04 8.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.14 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.415 ' CA ' HG23 ' A' ' 87' ' ' VAL . 2.6 m-20 74.51 54.93 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 85' ' ' PHE . 63.4 m -142.46 138.42 31.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.74 145.27 27.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.049 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.462 HG23 HG22 ' A' ' 84' ' ' THR . 47.8 m -147.18 145.54 29.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.643 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -136.0 153.1 76.69 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.561 0.696 . . . . 0.0 111.116 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 2.11 3.8 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -86.62 -37.47 18.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.21 32.27 0.8 Allowed Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.458 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -133.67 137.0 45.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.925 0.393 . . . . 0.0 110.857 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.462 HG22 HG23 ' A' ' 78' ' ' THR . 44.8 p -136.79 144.72 43.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.627 ' O ' HG23 ' A' ' 76' ' ' THR . 0.7 OUTLIER -136.25 175.12 9.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 84.2 m -120.4 123.75 43.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.415 HG23 ' CA ' ' A' ' 75' ' ' ASN . 2.6 m -97.06 146.01 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.471 ' HG3' HD11 ' A' ' 90' ' ' LEU . 11.0 pt20 -133.75 144.1 48.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.514 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 54.3 ttt-85 -107.52 125.98 51.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.487 ' N ' HD12 ' A' ' 90' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -123.76 124.34 42.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.916 0.389 . . . . 0.0 110.852 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.5 p -69.47 -45.84 68.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.42 -169.85 15.09 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.7 p -62.94 173.29 1.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.888 0.375 . . . . 0.0 110.864 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -133.83 -60.65 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.07 81.86 0.24 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.81 3.46 54.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.834 0.35 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.0 p -101.65 -63.53 1.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 41.1 mt -42.56 109.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.104 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.9 mmt-85 -48.29 166.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 mt -142.05 147.7 37.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.2 48.78 1.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -132.47 -40.16 1.0 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -75.61 -31.93 60.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -71.24 -24.18 62.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -42.11 -31.11 0.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.7 m -42.26 -37.06 1.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.23 -58.8 5.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.18 -35.15 74.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.847 ' O ' HG23 ' A' ' 25' ' ' THR . 85.9 m-20 -71.26 -42.66 68.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -61.37 -27.46 68.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.935 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.437 ' O ' ' C ' ' A' ' 24' ' ' SER . 20.4 mt -89.55 -61.68 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.068 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 25' ' ' THR . 15.1 m -35.69 -40.62 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.847 HG23 ' O ' ' A' ' 21' ' ' ASP . 77.7 p -33.96 -48.06 0.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.456 ' CD2' ' OG1' ' A' ' 25' ' ' THR . 1.4 p90 -115.55 103.13 10.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.956 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.639 HG11 ' CD ' ' A' ' 49' ' ' GLU . 9.8 p -153.14 152.96 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.163 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -133.78 136.27 44.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.558 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 55.7 m95 -128.68 121.34 28.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -129.48 150.77 50.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 16.3 p90 -116.5 139.41 50.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.532 HG13 HG23 ' A' ' 37' ' ' THR . 2.2 mp -95.55 106.23 18.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 36' ' ' ILE . 43.9 t0 -73.57 167.58 21.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.506 ' C ' ' O ' ' A' ' 33' ' ' ASP . 19.5 mttm -28.95 -72.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.448 ' H ' HD12 ' A' ' 36' ' ' ILE . 38.5 t30 -122.96 19.17 10.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.543 ' N ' HD12 ' A' ' 36' ' ' ILE . 2.4 mp -132.32 149.03 31.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.532 HG23 HG13 ' A' ' 32' ' ' ILE . 19.7 m -119.54 97.91 5.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -113.84 174.78 5.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.7 p -123.57 160.89 26.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.574 ' CZ ' ' HB3' ' A' ' 31' ' ' TYR . 98.7 m-85 -80.68 162.06 24.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.18 166.95 5.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.03 -21.48 66.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 19.5 ptp -88.02 -38.83 15.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.4 m -76.95 -37.28 55.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.185 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.49 ' OD1' ' N ' ' A' ' 29' ' ' TRP . 27.2 t30 -41.6 -40.16 1.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.736 ' O ' HG22 ' A' ' 50' ' ' VAL . 5.4 ptp -78.18 -42.51 31.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.407 ' N ' ' CG ' ' A' ' 46' ' ' MET . 59.6 mttt -44.39 -27.06 0.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.5 mt -89.73 -53.4 4.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.639 ' CD ' HG11 ' A' ' 27' ' ' VAL . 5.1 pt-20 -51.49 -43.53 62.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.736 HG22 ' O ' ' A' ' 46' ' ' MET . 8.5 m -57.46 -33.58 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.71 -31.35 46.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.593 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 10.5 t90 -75.55 -29.0 59.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -89.49 -32.47 17.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.93 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.14 4.6 5.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.115 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt 64.03 35.14 10.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -79.33 164.55 23.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -93.07 -35.92 12.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.862 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -165.73 148.21 7.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.0 t -128.79 136.98 51.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.0 t -92.02 136.53 24.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.442 HG23 HG13 ' A' ' 63' ' ' ILE . 31.0 m -140.44 151.55 21.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.118 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.7 mp0 -80.63 105.76 12.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.575 HG22 ' CD2' ' A' ' 64' ' ' HIS . 84.2 mt -118.47 122.76 70.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.575 ' CD2' HG22 ' A' ' 63' ' ' ILE . 12.0 m170 63.53 33.86 13.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.83 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 68.88 26.29 5.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.459 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 1.4 pt20 -146.41 130.28 17.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -61.61 131.93 51.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.575 ' CE2' ' CE2' ' A' ' 85' ' ' PHE . 4.0 m-85 -129.35 153.45 47.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 39.9 m -102.7 108.54 19.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.108 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.437 HG22 ' HB2' ' A' ' 77' ' ' ALA . 84.2 t -96.66 114.06 32.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 75' ' ' ASN . 1.5 t70 -91.85 120.41 32.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.455 HD22 ' HB2' ' A' ' 52' ' ' TRP . 6.5 mt -72.35 -42.63 65.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.8 t -42.21 -51.35 4.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.428 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 9.3 t -103.28 -18.27 14.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.121 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 71' ' ' ASP . 1.2 m120 68.79 55.03 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.86 HG23 ' O ' ' A' ' 85' ' ' PHE . 93.2 m -144.4 137.13 26.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.437 ' HB2' HG22 ' A' ' 70' ' ' VAL . . . -92.84 149.84 21.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.051 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.628 HG23 HG22 ' A' ' 84' ' ' THR . 22.0 m -152.52 145.29 24.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.499 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -136.06 154.61 77.62 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.623 0.725 . . . . 0.0 111.077 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 1.21 4.65 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.625 2.217 . . . . 0.0 112.366 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -86.93 -37.1 17.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 124.97 32.66 0.79 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.467 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -132.19 134.78 45.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.894 0.378 . . . . 0.0 110.906 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.628 HG22 HG23 ' A' ' 78' ' ' THR . 51.4 p -134.62 147.13 50.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.86 ' O ' HG23 ' A' ' 76' ' ' THR . 1.5 m-85 -139.03 175.17 9.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 40.4 m -120.49 125.04 46.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.156 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.5 m -98.82 135.01 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.559 ' HG3' HD11 ' A' ' 90' ' ' LEU . 10.8 pt20 -122.88 143.52 49.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.558 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 54.9 ttt-85 -104.57 125.33 50.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.559 HD11 ' HG3' ' A' ' 88' ' ' GLN . 1.0 OUTLIER -128.81 135.2 48.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.9 t -93.75 123.18 45.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -79.36 101.66 8.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -151.91 135.62 16.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.06 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.4 m -136.15 118.45 15.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 176.95 146.18 6.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 102.14 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.353 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.3 m -137.27 139.67 41.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.0 t -103.02 -46.94 4.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.508 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 3' ' ' SER . 1.5 t -146.86 144.88 29.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 110.866 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 2' ' ' SER . 17.4 t -36.56 -51.46 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.46 174.82 26.69 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.51 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.0 t -105.46 140.05 39.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 0.0 110.845 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.6 p -162.36 163.21 27.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.24 116.37 4.58 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -126.5 -60.93 1.23 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.829 0.347 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.2 p -56.8 146.99 24.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.7 mt -124.51 95.49 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.163 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -130.05 151.01 51.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.2 mt -38.94 118.29 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -163.32 167.39 21.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.6 tppt? -71.68 80.69 0.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -94.82 -52.6 4.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 18' ' ' SER . 78.3 mttt -40.52 -30.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 16' ' ' LYS . 12.9 tm-20 -37.64 -30.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 16' ' ' LYS . 60.2 p -44.33 -45.19 8.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -81.03 -39.06 26.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.54 -56.38 2.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.579 ' O ' HG22 ' A' ' 25' ' ' THR . 1.0 OUTLIER -71.74 -37.34 70.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.445 ' O ' HG22 ' A' ' 25' ' ' THR . 54.0 t80 -51.73 -38.55 55.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.8 mt -87.71 -61.41 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 26' ' ' TYR . 4.1 m -47.51 -46.82 27.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.579 HG22 ' O ' ' A' ' 21' ' ' ASP . 5.8 t -34.69 -33.5 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.559 ' O ' ' CG ' ' A' ' 26' ' ' TYR . 25.3 p90 -131.99 103.01 6.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.486 HG22 ' N ' ' A' ' 28' ' ' GLU . 14.9 p -154.14 158.12 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.486 ' N ' HG22 ' A' ' 27' ' ' VAL . 2.1 tp10 -136.64 134.32 37.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.522 ' CE3' ' HB3' ' A' ' 48' ' ' LEU . 31.7 m95 -123.67 128.88 50.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -128.24 151.7 48.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.943 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.577 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 33.8 p90 -119.49 140.75 49.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.59 HG13 HG23 ' A' ' 37' ' ' THR . 2.1 mp -95.72 107.86 20.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.097 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' A' ' 36' ' ' ILE . 9.7 t70 -73.88 167.44 21.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -29.7 -70.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.872 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -123.34 18.41 9.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.519 ' O ' ' N ' ' A' ' 33' ' ' ASP . 3.9 mp -132.24 152.01 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.59 HG23 HG13 ' A' ' 32' ' ' ILE . 9.2 m -120.9 97.94 5.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.138 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -113.61 174.59 5.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.4 p -117.82 163.53 16.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 31' ' ' TYR . 76.7 m-85 -77.3 170.65 16.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.71 178.19 2.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.78 -27.35 61.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 33.1 mtm -93.74 -31.11 14.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.444 HG21 ' HD2' ' A' ' 40' ' ' PHE . 95.3 m -75.46 -36.12 60.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -43.53 -41.64 4.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.617 ' O ' HG22 ' A' ' 50' ' ' VAL . 7.1 ptp -75.8 -36.68 59.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 55.9 mttt -51.0 -20.82 1.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.522 ' HB3' ' CE3' ' A' ' 29' ' ' TRP . 64.5 mt -95.89 -53.95 3.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.447 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 0.7 OUTLIER -54.14 -38.75 65.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.617 HG22 ' O ' ' A' ' 46' ' ' MET . 27.6 m -60.78 -47.36 93.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.524 ' N ' HG23 ' A' ' 50' ' ' VAL . . . -65.1 -35.66 81.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.486 ' HB2' HD22 ' A' ' 72' ' ' LEU . 10.8 t90 -69.77 -38.08 76.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -79.84 -31.46 40.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.11 12.68 2.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.128 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 79.1 mttt 54.49 38.17 29.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -82.46 158.15 23.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.6 tptt -84.6 -37.14 21.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -163.82 152.48 13.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 59' ' ' THR . 13.5 t -131.9 127.02 35.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.1 t -82.08 137.0 21.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.123 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.559 HG23 HG13 ' A' ' 63' ' ' ILE . 29.1 m -142.11 153.92 18.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.165 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -83.49 107.0 15.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.559 HG13 HG23 ' A' ' 61' ' ' VAL . 86.6 mt -119.59 119.83 61.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.535 ' CD2' HG22 ' A' ' 63' ' ' ILE . 11.3 m170 64.26 36.97 8.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 67.34 25.16 8.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 1.8 pt20 -146.16 127.43 14.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -61.67 133.4 55.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.499 ' CE2' ' CE2' ' A' ' 85' ' ' PHE . 4.1 m-85 -129.31 150.1 50.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 40.0 m -98.07 105.59 17.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.181 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.513 HG22 ' HB2' ' A' ' 77' ' ' ALA . 57.4 t -93.38 111.28 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.163 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 75' ' ' ASN . 2.8 t0 -90.16 118.21 29.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.486 HD22 ' HB2' ' A' ' 52' ' ' TRP . 6.1 mt -72.7 -43.11 63.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 m -40.31 -43.41 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.449 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 9.3 t -111.46 -19.57 12.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.147 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.449 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.2 m120 71.6 54.98 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.85 HG23 ' O ' ' A' ' 85' ' ' PHE . 96.8 m -145.68 137.18 25.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.513 ' HB2' HG22 ' A' ' 70' ' ' VAL . . . -92.95 148.27 22.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.078 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.563 HG23 HG22 ' A' ' 84' ' ' THR . 23.8 m -151.25 145.64 25.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.153 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.457 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -137.47 155.45 75.44 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.581 0.705 . . . . 0.0 111.086 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.42 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 53.8 Cg_endo -69.8 1.93 4.02 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.67 2.247 . . . . 0.0 112.34 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -87.75 -39.15 15.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 126.14 34.39 0.63 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -133.64 132.17 40.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.363 . . . . 0.0 110.896 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.563 HG22 HG23 ' A' ' 78' ' ' THR . 49.8 p -132.53 144.38 50.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.85 ' O ' HG23 ' A' ' 76' ' ' THR . 1.6 m-85 -135.89 175.08 9.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.3 m -120.07 123.27 42.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.161 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.1 m -97.35 137.72 24.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.074 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.474 ' HG3' HD11 ' A' ' 90' ' ' LEU . 10.6 pt20 -127.03 140.9 51.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.42 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 64.6 ttt-85 -99.97 130.91 46.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.474 HD11 ' HG3' ' A' ' 88' ' ' GLN . 1.1 mp -132.52 138.07 47.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.456 HG12 ' HE2' ' A' ' 26' ' ' TYR . 46.4 t -98.55 123.23 50.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.097 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.43 ' NZ ' ' HA ' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -81.36 82.73 7.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.18 141.64 58.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.1 t -114.25 110.9 20.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 103.03 130.72 7.07 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 153.85 68.57 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.711 2.274 . . . . 0.0 112.334 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.1 m -145.33 108.2 4.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 29.2 t -161.26 164.39 30.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 179.963 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.4 m -122.16 95.17 4.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.901 0.382 . . . . 0.0 110.841 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -103.87 149.88 24.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.88 134.03 13.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.4 p -122.16 -50.69 2.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 0.0 110.863 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 t -61.95 130.73 46.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.835 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.94 169.53 15.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.31 154.67 4.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.744 0.307 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.8 p -61.16 165.93 4.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.481 ' C ' HD12 ' A' ' 10' ' ' ILE . 2.8 pp -73.23 158.56 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.12 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.6 mtp180 -94.64 -39.84 10.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.827 ' C ' HD22 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -154.35 157.44 38.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.964 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.478 ' N ' HD22 ' A' ' 12' ' ' LEU . . . -111.08 162.18 15.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? 62.36 41.57 10.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -61.05 -48.18 82.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 18' ' ' SER . 27.2 mtmm -60.77 -32.16 71.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 16' ' ' LYS . 4.9 tp10 -37.6 -29.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 16' ' ' LYS . 2.0 m -47.07 -46.43 22.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -76.26 -41.12 50.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.445 ' HB1' ' HZ2' ' A' ' 53' ' ' LYS . . . -47.99 -61.67 1.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.075 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -46.71 -42.61 16.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.862 ' O ' HG22 ' A' ' 25' ' ' THR . 4.2 t80 -57.64 -54.36 47.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.4 HG23 ' CZ ' ' A' ' 26' ' ' TYR . 87.6 mt -39.81 -48.53 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.116 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 26' ' ' TYR . 13.1 m -39.99 -41.16 1.16 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.862 HG22 ' O ' ' A' ' 22' ' ' TYR . 7.5 t -33.58 -35.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.592 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 43.7 p90 -125.02 103.19 7.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.47 HG22 ' N ' ' A' ' 28' ' ' GLU . 14.9 p -154.24 157.87 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.144 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.47 ' N ' HG22 ' A' ' 27' ' ' VAL . 14.6 tt0 -127.65 133.25 49.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.52 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 59.5 m95 -130.57 115.15 16.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -125.48 152.07 45.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.542 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 25.9 p90 -117.9 143.7 46.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.56 HG13 HG23 ' A' ' 37' ' ' THR . 2.2 mp -98.81 106.64 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.519 ' O ' ' C ' ' A' ' 34' ' ' LYS . 20.5 t70 -74.53 167.47 21.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.833 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.519 ' C ' ' O ' ' A' ' 33' ' ' ASP . 13.8 mmtp -27.93 -73.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -121.9 18.8 10.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.504 ' O ' ' N ' ' A' ' 33' ' ' ASP . 3.2 mp -132.41 147.22 32.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.56 HG23 HG13 ' A' ' 32' ' ' ILE . 18.0 m -117.32 99.9 7.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.122 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -113.51 179.65 3.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.7 p -126.35 162.52 25.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.542 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 96.9 m-85 -82.55 159.74 22.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 43' ' ' MET . 0.5 OUTLIER -75.43 141.78 43.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.01 -25.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.502 ' N ' ' O ' ' A' ' 41' ' ' ASP . 70.0 mtm -74.06 -48.44 29.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.891 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 47' ' ' LYS . 98.3 m -77.17 -41.43 41.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.175 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 44' ' ' THR . 3.4 t-20 -34.36 -44.34 0.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.624 ' O ' HG13 ' A' ' 50' ' ' VAL . 8.0 ptp -74.21 -43.72 56.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 44' ' ' THR . 73.5 mttt -50.29 -24.45 2.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.0 mt -91.2 -53.44 4.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.43 ' CD ' HG11 ' A' ' 27' ' ' VAL . 6.6 pt-20 -54.32 -35.67 62.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.624 HG13 ' O ' ' A' ' 46' ' ' MET . 35.0 m -62.62 -43.4 98.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.469 ' N ' HG23 ' A' ' 50' ' ' VAL . . . -67.71 -29.26 68.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.45 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 10.5 t90 -73.96 -36.72 64.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.954 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.445 ' HZ2' ' HB1' ' A' ' 20' ' ' ALA . 24.3 mmmt -83.47 -27.04 29.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.94 17.37 1.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.121 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt 48.91 38.63 12.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -84.23 159.52 20.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -86.61 -34.76 19.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -166.96 152.6 7.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.7 t -130.63 134.03 46.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.6 t -86.7 135.73 24.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.083 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.504 HG23 HG13 ' A' ' 63' ' ' ILE . 32.9 m -141.8 151.29 18.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.077 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -79.65 109.72 14.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.553 HG22 ' CD2' ' A' ' 64' ' ' HIS . 68.5 mt -122.42 119.91 59.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.553 ' CD2' HG22 ' A' ' 63' ' ' ILE . 11.5 m170 66.08 35.32 6.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.833 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.8 t30 66.76 28.03 9.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.473 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.5 pt20 -147.17 132.91 18.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -61.97 130.91 47.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.675 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.6 m-85 -129.46 156.0 44.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 56.8 m -108.11 110.08 21.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.093 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.3 t -95.65 115.45 34.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 75' ' ' ASN . 4.1 t0 -92.6 117.88 30.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.402 HD11 ' HB1' ' A' ' 51' ' ' ALA . 9.9 mt -71.4 -43.4 66.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.8 m -43.93 -53.42 6.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.437 HG22 ' HB3' ' A' ' 71' ' ' ASP . 11.6 t -98.65 -21.94 16.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.121 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 71' ' ' ASP . 1.2 m120 71.15 53.57 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.679 HG23 ' O ' ' A' ' 85' ' ' PHE . 96.7 m -143.24 134.47 25.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.413 ' HB3' ' HD2' ' A' ' 85' ' ' PHE . . . -92.88 144.15 25.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.073 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.738 HG23 HG22 ' A' ' 84' ' ' THR . 10.1 m -146.32 148.32 32.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.675 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -139.89 153.35 69.62 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.595 0.712 . . . . 0.0 111.123 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 3.13 2.96 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.249 . . . . 0.0 112.362 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -87.71 -36.79 17.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 124.69 32.71 0.8 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.505 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -133.6 139.61 46.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.887 0.375 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.738 HG22 HG23 ' A' ' 78' ' ' THR . 37.1 p -141.08 141.06 34.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.679 ' O ' HG23 ' A' ' 76' ' ' THR . 0.7 OUTLIER -132.76 175.12 9.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 40.7 m -118.83 124.45 47.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.129 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.404 HG23 ' HB3' ' A' ' 75' ' ' ASN . 3.0 m -97.19 136.73 26.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.169 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -127.64 136.93 52.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.52 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 52.7 ttt-85 -97.98 131.29 44.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.28 139.6 48.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.3 t -95.36 120.28 44.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -82.7 108.41 16.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -100.58 129.87 46.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.064 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.6 m -100.92 112.3 24.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.828 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -173.29 -95.22 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.445 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 127.23 14.28 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.645 2.23 . . . . 0.0 112.314 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 85.5 p -103.47 141.23 36.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.835 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 99' ' ' GLY . 1.7 t -55.14 124.15 15.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.843 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 98' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.504 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.0 p -76.05 -46.86 27.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.871 0.367 . . . . 0.0 110.855 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -91.71 148.82 21.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.862 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.5 -67.44 0.45 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.52 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 t -109.45 131.95 54.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.854 0.359 . . . . 0.0 110.908 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 7' ' ' GLY . 33.2 t -146.8 127.7 14.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 8' ' ' LYS . . . -34.82 115.9 0.19 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 7' ' ' GLY . 14.1 pttm -34.41 139.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.816 0.341 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.5 m -81.64 166.27 20.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.856 ' O ' HD12 ' A' ' 12' ' ' LEU . 80.5 mt -100.09 83.93 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.149 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 50.61 51.22 17.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.856 HD12 ' O ' ' A' ' 10' ' ' ILE . 3.7 mp -116.68 -177.05 3.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.8 -75.38 0.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -155.44 137.26 14.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.402 ' O ' ' OE2' ' A' ' 17' ' ' GLU . 6.3 pt-20 -46.18 -29.9 1.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.21 -21.35 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.915 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.456 ' HG2' ' N ' ' A' ' 18' ' ' SER . 1.5 pm0 -42.06 -29.18 0.21 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.456 ' N ' ' HG2' ' A' ' 17' ' ' GLU . 1.8 m -50.92 -42.74 59.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.836 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -95.43 -47.9 6.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.573 ' HB1' ' CE ' ' A' ' 53' ' ' LYS . . . -48.99 -53.59 19.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.049 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -50.92 -56.27 13.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.538 ' CE2' ' OH ' ' A' ' 26' ' ' TYR . 26.3 t80 -41.72 -40.16 1.91 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.0 mt -75.33 -46.14 38.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.113 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.465 ' O ' ' C ' ' A' ' 25' ' ' THR . 20.9 m -55.22 -42.71 73.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.818 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.465 ' C ' ' O ' ' A' ' 24' ' ' SER . 0.2 OUTLIER -32.95 -44.82 0.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 -179.908 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.538 ' OH ' ' CE2' ' A' ' 22' ' ' TYR . 3.1 p90 -117.53 103.07 9.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.7 p -153.84 151.49 11.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 -134.31 131.34 38.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.543 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 49.1 m95 -120.81 119.83 33.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -123.37 149.25 45.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.564 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 19.5 p90 -118.5 145.27 45.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.563 HG13 HG23 ' A' ' 37' ' ' THR . 2.2 mp -99.19 107.96 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.523 ' N ' ' O ' ' A' ' 36' ' ' ILE . 17.1 t70 -73.88 167.78 20.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.513 ' C ' ' O ' ' A' ' 33' ' ' ASP . 31.2 mtpt -29.07 -72.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -121.97 18.13 10.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.0 mp -132.26 153.96 39.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.563 HG23 HG13 ' A' ' 32' ' ' ILE . 13.5 m -121.08 97.95 5.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 31' ' ' TYR . 19.2 mt-30 -111.04 178.04 4.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 32.0 p -129.04 159.48 35.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 98.2 m-85 -80.07 161.5 25.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -68.89 177.36 2.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -68.82 -34.78 76.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.1 ptp -74.87 -42.85 57.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.2 m -74.07 -35.39 64.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.083 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.447 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 19.1 t-20 -43.86 -46.04 7.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.515 ' O ' HG13 ' A' ' 50' ' ' VAL . 9.1 ptp -75.15 -36.67 61.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -50.63 -23.23 2.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.478 HD23 ' CG2' ' A' ' 59' ' ' THR . 88.9 mt -95.44 -51.82 4.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 50' ' ' VAL . 1.6 pp20? -53.6 -36.67 62.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.529 HG23 ' N ' ' A' ' 51' ' ' ALA . 26.7 m -58.85 -49.05 84.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.149 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.529 ' N ' HG23 ' A' ' 50' ' ' VAL . . . -62.7 -32.84 74.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.077 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.427 ' HA ' HD13 ' A' ' 72' ' ' LEU . 12.2 t90 -69.59 -37.51 76.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.573 ' CE ' ' HB1' ' A' ' 20' ' ' ALA . 20.7 mmmt -79.22 -30.5 43.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.92 17.54 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.8 mttt 47.53 37.61 6.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -78.53 162.81 26.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -87.04 -36.87 17.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.6 p30 -164.41 152.13 12.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.478 ' CG2' HD23 ' A' ' 48' ' ' LEU . 9.8 t -128.23 128.26 44.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.7 t -84.33 133.88 28.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.559 HG23 HG13 ' A' ' 63' ' ' ILE . 33.4 m -140.13 152.35 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 -81.73 105.57 12.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.702 HG22 ' CD2' ' A' ' 64' ' ' HIS . 84.3 mt -118.11 118.03 56.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.702 ' CD2' HG22 ' A' ' 63' ' ' ILE . 9.9 m170 67.08 40.02 3.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 63.82 25.86 14.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.485 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 1.1 pt20 -147.28 129.77 15.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.89 132.64 53.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.632 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.5 m-85 -128.91 152.64 48.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.2 m -101.47 106.87 18.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.509 HG22 ' HB2' ' A' ' 77' ' ' ALA . 65.1 t -94.5 112.82 27.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 75' ' ' ASN . 8.0 t0 -89.31 120.84 31.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 52' ' ' TRP . 11.4 mt -73.47 -39.23 65.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.922 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.6 t -45.19 -54.07 7.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.839 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.429 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 8.9 t -100.67 -19.56 16.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.429 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.4 m120 71.31 53.73 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.886 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.876 HG23 ' O ' ' A' ' 85' ' ' PHE . 98.6 m -142.36 137.09 30.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.091 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.509 ' HB2' HG22 ' A' ' 70' ' ' VAL . . . -92.86 148.43 22.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.626 HG23 HG22 ' A' ' 84' ' ' THR . 19.9 m -150.21 145.41 26.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.632 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -136.23 153.36 76.51 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.6 0.714 . . . . 0.0 111.089 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 3.85 2.54 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.678 2.252 . . . . 0.0 112.342 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -89.49 -37.84 14.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.444 ' C ' ' OE1' ' A' ' 83' ' ' GLN . . . 125.87 34.89 0.62 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.488 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.444 ' OE1' ' C ' ' A' ' 82' ' ' GLY . 5.4 mp0 -135.06 133.53 39.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.881 0.372 . . . . 0.0 110.927 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.626 HG22 HG23 ' A' ' 78' ' ' THR . 42.2 p -133.66 144.18 49.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.124 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.876 ' O ' HG23 ' A' ' 76' ' ' THR . 1.1 m-85 -136.26 175.1 9.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.7 m -119.24 124.3 46.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.42 HG22 ' C ' ' A' ' 75' ' ' ASN . 2.9 m -97.23 138.39 22.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.439 ' HG3' HD11 ' A' ' 90' ' ' LEU . 7.9 pt20 -128.15 146.1 50.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.973 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.543 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 48.7 ttt-85 -107.07 131.97 53.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.517 ' N ' HD12 ' A' ' 90' ' ' LEU . 1.2 mp -134.87 133.3 39.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.48 ' O ' HG13 ' A' ' 91' ' ' VAL . 11.4 p -97.47 122.39 48.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -73.43 89.04 1.62 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -109.89 167.95 9.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.062 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.7 t -65.87 98.63 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -65.76 146.07 49.02 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.456 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 87.98 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.659 2.239 . . . . 0.0 112.354 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.9 m -174.13 169.35 3.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.823 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 43.4 t -112.91 -55.14 2.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.83 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.495 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.0 p -104.89 149.19 25.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.368 . . . . 0.0 110.876 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.8 m -44.71 -61.8 1.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 42.17 -140.63 1.85 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.474 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.5 p -112.13 168.35 9.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.903 0.382 . . . . 0.0 110.836 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -92.34 118.27 30.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.897 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.05 -129.08 3.08 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.46 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -74.91 144.05 43.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.759 0.314 . . . . 0.0 110.935 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.5 m -109.31 103.08 11.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.834 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.451 ' O ' HG23 ' A' ' 10' ' ' ILE . 19.0 tt -77.37 123.3 33.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.142 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.453 ' C ' HD12 ' A' ' 12' ' ' LEU . 7.1 ptp85 -160.48 141.66 12.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.507 ' N ' HD12 ' A' ' 12' ' ' LEU . 4.5 mp -126.99 125.96 42.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.06 154.05 29.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.082 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.0 mmtt 56.6 42.85 26.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -71.53 -46.37 59.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -58.74 -28.0 65.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -39.85 -35.99 0.4 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.5 t -46.92 -44.46 19.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -89.92 -50.98 5.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.5 -52.62 2.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -65.4 -41.49 93.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.448 ' O ' ' CZ ' ' A' ' 26' ' ' TYR . 74.8 t80 -52.26 -26.96 13.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.613 ' O ' ' CD1' ' A' ' 26' ' ' TYR . 18.5 mt -94.89 -60.08 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 26' ' ' TYR . 1.7 m -50.51 -34.69 26.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.834 HG23 ' CD2' ' A' ' 26' ' ' TYR . 12.8 t -35.17 -31.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.834 ' CD2' HG23 ' A' ' 25' ' ' THR . 0.4 OUTLIER -121.24 103.33 8.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.796 HG11 ' CD ' ' A' ' 49' ' ' GLU . 13.8 p -154.13 146.85 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.067 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.42 ' O ' HD12 ' A' ' 90' ' ' LEU . 3.5 tp10 -128.04 121.13 28.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.509 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 51.8 m95 -115.15 119.53 36.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.953 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.404 ' HG2' ' CB ' ' A' ' 39' ' ' CYS . 46.2 mt-30 -125.32 151.72 45.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.495 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 24.7 p90 -119.12 138.8 52.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.545 HG13 HG23 ' A' ' 37' ' ' THR . 2.0 mp -92.35 108.59 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.131 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' A' ' 36' ' ' ILE . 23.8 t0 -73.9 167.53 21.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.499 ' C ' ' O ' ' A' ' 33' ' ' ASP . 17.5 mmmt -30.13 -70.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -122.77 17.54 10.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.6 mp -132.31 154.06 39.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.545 HG23 HG13 ' A' ' 32' ' ' ILE . 12.5 m -121.11 97.93 5.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.194 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -111.62 177.41 4.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.404 ' CB ' ' HG2' ' A' ' 30' ' ' GLN . 30.8 p -127.42 154.79 44.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.575 ' HE1' HD11 ' A' ' 63' ' ' ILE . 97.6 m-85 -72.04 166.93 21.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -74.06 178.68 4.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.8 pttt -69.7 -32.45 71.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 47.9 mtp -77.76 -43.89 29.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.1 m -73.33 -37.33 66.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -42.39 -44.98 4.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.697 ' O ' HG22 ' A' ' 50' ' ' VAL . 7.1 ptp -76.69 -35.65 57.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -53.1 -20.11 3.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.586 HD22 HG11 ' A' ' 70' ' ' VAL . 86.3 mt -96.02 -56.89 2.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.796 ' CD ' HG11 ' A' ' 27' ' ' VAL . 4.2 pt-20 -49.59 -45.34 47.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.697 HG22 ' O ' ' A' ' 46' ' ' MET . 22.8 m -53.58 -39.42 37.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.725 ' HB1' HD11 ' A' ' 72' ' ' LEU . . . -70.63 -33.65 71.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.081 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.51 ' HB2' HD22 ' A' ' 72' ' ' LEU . 10.5 t90 -73.39 -35.97 65.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.424 ' NZ ' ' HB3' ' A' ' 53' ' ' LYS . 0.1 OUTLIER -76.81 -38.28 54.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.83 4.2 5.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt 61.64 36.43 16.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -76.75 162.36 27.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -88.01 -34.39 18.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -168.52 144.95 3.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.487 ' CG2' HD23 ' A' ' 48' ' ' LEU . 12.0 t -123.17 130.52 52.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.9 t -83.93 138.36 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.122 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.537 HG23 HG13 ' A' ' 63' ' ' ILE . 27.7 m -144.16 148.12 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.164 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -79.32 106.68 11.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.575 HD11 ' HE1' ' A' ' 40' ' ' PHE . 66.7 mt -118.86 131.53 71.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.424 ' CB ' HE21 ' A' ' 66' ' ' GLN . 10.6 m170 56.13 29.78 15.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 73.53 25.15 2.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.46 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.3 pt20 -145.3 132.88 20.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.98 130.74 47.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.671 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 4.2 m-85 -129.04 151.11 50.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 34.2 m -100.82 107.13 18.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.174 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.586 HG11 HD22 ' A' ' 48' ' ' LEU . 96.5 t -91.79 106.28 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 75' ' ' ASN . 6.7 t0 -83.75 115.97 22.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.725 HD11 ' HB1' ' A' ' 51' ' ' ALA . 6.8 mt -73.18 -42.45 62.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.8 m -45.71 -46.82 15.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.457 HG22 ' HB3' ' A' ' 71' ' ' ASP . 11.0 t -105.59 -18.01 14.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.186 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.9 OUTLIER 68.18 52.94 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 85' ' ' PHE . 77.3 m -142.61 133.27 25.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.95 147.89 22.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.083 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.772 HG23 HG22 ' A' ' 84' ' ' THR . 10.7 m -150.91 148.56 28.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.671 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -139.1 153.25 71.28 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.586 0.708 . . . . 0.0 111.078 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 2.45 3.52 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.728 2.285 . . . . 0.0 112.33 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 57.3 mm-40 -86.73 -36.38 18.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.942 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.428 ' C ' ' OE1' ' A' ' 83' ' ' GLN . . . 124.32 37.1 0.58 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.428 ' OE1' ' C ' ' A' ' 82' ' ' GLY . 1.1 mp0 -138.84 141.06 38.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.843 0.354 . . . . 0.0 110.931 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.772 HG22 HG23 ' A' ' 78' ' ' THR . 22.2 p -141.14 144.27 34.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.168 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.605 ' O ' HG23 ' A' ' 76' ' ' THR . 1.0 OUTLIER -135.98 175.01 9.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 46.6 m -119.49 123.97 45.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.2 m -97.33 139.12 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -126.4 142.66 51.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.959 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.509 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 68.0 ttt-85 -110.23 122.33 47.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.42 HD12 ' O ' ' A' ' 28' ' ' GLU . 0.6 OUTLIER -121.36 134.24 55.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 83.1 t -84.9 111.68 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.15 165.75 11.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -174.9 122.95 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.075 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 35.3 t -57.51 -49.57 75.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -78.44 152.34 37.53 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.509 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 103.76 1.21 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.639 2.226 . . . . 0.0 112.361 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.3 m -76.21 164.92 25.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.0 m -94.62 -44.07 8.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 179.965 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.1 m -130.55 89.65 2.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.909 0.385 . . . . 0.0 110.891 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 m -124.53 137.05 54.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.6 176.03 20.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.51 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.8 m -87.06 111.52 20.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.873 0.368 . . . . 0.0 110.82 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -112.01 130.32 55.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.915 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.24 -159.6 17.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.467 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -98.97 41.6 1.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.779 0.323 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.2 m -103.32 85.68 2.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.2 pt -100.14 40.13 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -98.08 137.27 37.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.2 mt -117.14 100.84 7.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -158.06 126.4 5.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.09 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? 50.02 41.46 23.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 17' ' ' GLU . 0.5 OUTLIER -83.38 -49.56 9.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -40.18 -26.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 15' ' ' GLU . 81.4 mt-10 -41.02 -40.4 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 19' ' ' GLN . 96.5 p -43.65 -42.98 5.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 20' ' ' ALA . 8.9 pt20 -37.73 -42.07 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.92 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 19' ' ' GLN . . . -35.58 -44.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 22' ' ' TYR . 3.7 m-20 -73.49 -55.45 6.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.427 ' C ' ' O ' ' A' ' 21' ' ' ASP . 10.8 t80 -34.93 -38.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.983 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.4 mt -84.37 -57.83 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.159 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 25' ' ' THR . 17.7 m -42.47 -41.68 3.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 24' ' ' SER . 21.4 p -34.99 -40.37 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.156 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.405 ' CE2' ' O ' ' A' ' 22' ' ' TYR . 2.6 p90 -123.14 102.77 8.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.544 HG11 ' CD ' ' A' ' 49' ' ' GLU . 8.9 p -154.27 157.47 4.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.138 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.408 ' N ' HG22 ' A' ' 27' ' ' VAL . 3.0 tp10 -143.1 115.0 8.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.533 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 45.7 m95 -107.53 121.32 44.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -126.51 149.17 49.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 20.6 p90 -115.77 141.7 47.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.59 HG13 HG23 ' A' ' 37' ' ' THR . 2.2 mp -95.23 107.59 19.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' A' ' 36' ' ' ILE . 23.9 t70 -73.55 167.85 20.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.51 ' C ' ' O ' ' A' ' 33' ' ' ASP . 43.4 mttp -29.02 -72.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -122.46 18.07 10.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.5 mp -132.21 154.17 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.59 HG23 HG13 ' A' ' 32' ' ' ILE . 12.7 m -122.65 98.79 6.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -111.64 176.19 5.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.6 p -121.62 160.31 24.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 31' ' ' TYR . 87.1 m-85 -80.55 166.54 21.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -76.03 179.84 5.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.4 ptpp? -70.94 -34.39 71.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 9.3 mmt -73.54 -45.0 56.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.6 m -75.49 -36.7 60.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -44.0 -40.46 4.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.728 ' O ' HG22 ' A' ' 50' ' ' VAL . 6.5 ptp -81.44 -41.83 21.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.409 ' C ' HG22 ' A' ' 50' ' ' VAL . 62.2 mttm -46.22 -21.88 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.672 HD23 HG21 ' A' ' 59' ' ' THR . 62.3 mt -93.52 -68.83 0.78 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.544 ' CD ' HG11 ' A' ' 27' ' ' VAL . 6.9 pt-20 -40.5 -36.9 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 46' ' ' MET . 16.0 m -59.4 -44.04 91.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.155 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.539 ' HB1' HD11 ' A' ' 72' ' ' LEU . . . -71.86 -36.22 70.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.074 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.551 ' HB2' HD22 ' A' ' 72' ' ' LEU . 12.0 t90 -67.45 -34.37 77.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -83.67 -32.89 25.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.98 12.28 2.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.8 mtmt 55.1 39.75 31.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.413 ' HB2' ' HB1' ' A' ' 51' ' ' ALA . 13.1 mmmt -78.48 174.4 11.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -100.64 -35.77 9.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -170.61 149.37 3.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.672 HG21 HD23 ' A' ' 48' ' ' LEU . 10.7 t -126.65 138.31 53.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.5 t -89.94 136.95 22.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.8 m -144.02 141.2 24.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -76.61 104.58 7.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.54 HG22 ' CD2' ' A' ' 64' ' ' HIS . 91.1 mt -115.34 123.77 71.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.54 ' CD2' HG22 ' A' ' 63' ' ' ILE . 13.2 m170 64.49 37.05 8.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.0 m120 66.38 27.15 10.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.0 pt20 -147.19 129.42 15.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.86 133.12 55.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.636 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.6 m-85 -128.47 165.22 21.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 29.0 m -115.11 107.61 15.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.134 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 89.9 t -93.08 116.6 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 75' ' ' ASN . 2.2 t70 -94.7 117.65 30.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.551 HD22 ' HB2' ' A' ' 52' ' ' TRP . 7.9 mt -71.45 -40.59 70.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 t -45.95 -54.63 7.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.402 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 9.9 t -97.63 -24.1 15.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.156 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 71' ' ' ASP . 1.7 m120 74.81 48.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.653 HG23 ' O ' ' A' ' 85' ' ' PHE . 99.2 m -137.99 138.05 38.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -96.93 144.19 27.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.666 HG23 HG22 ' A' ' 84' ' ' THR . 6.5 m -146.08 149.46 34.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.636 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -140.48 153.25 68.2 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.581 0.705 . . . . 0.0 111.125 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 3.26 2.88 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.727 2.285 . . . . 0.0 112.321 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -88.08 -36.67 16.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.44 ' C ' ' OE1' ' A' ' 83' ' ' GLN . . . 123.65 35.8 0.67 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.562 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.44 ' OE1' ' C ' ' A' ' 82' ' ' GLY . 2.9 mp0 -137.01 140.71 42.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.893 0.378 . . . . 0.0 110.909 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.666 HG22 HG23 ' A' ' 78' ' ' THR . 19.5 p -139.86 146.0 38.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.653 ' O ' HG23 ' A' ' 76' ' ' THR . 0.9 OUTLIER -136.76 174.83 10.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.9 m -118.85 124.12 46.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.421 ' CG2' ' C ' ' A' ' 75' ' ' ASN . 2.1 m -97.72 137.9 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.134 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.692 ' HG3' HD11 ' A' ' 90' ' ' LEU . 10.0 pt20 -132.03 142.02 49.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.533 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 53.3 ttt-85 -99.69 132.31 45.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.692 HD11 ' HG3' ' A' ' 88' ' ' GLN . 1.7 mp -135.64 147.91 48.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.8 p -102.42 149.18 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.3 mmtm -121.41 43.46 2.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.66 108.92 2.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.9 t -53.94 106.71 0.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.84 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -114.58 -147.05 9.33 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.475 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 2.78 3.24 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.7 2.267 . . . . 0.0 112.321 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 64.8 p -116.0 86.63 2.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 89.7 p -59.66 121.56 11.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.427 -179.939 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.531 -0.227 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.6 m 60.57 43.6 12.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.827 0.346 . . . . 0.0 110.872 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.9 p -90.37 167.85 12.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.21 156.49 22.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.0 m -60.32 -46.1 91.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.924 0.392 . . . . 0.0 110.837 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -173.93 125.65 0.36 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.16 74.32 1.45 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.542 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.2 ptmm? -134.73 -33.69 0.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.847 0.356 . . . . 0.0 110.959 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.7 t -66.33 -30.52 70.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.473 HD13 ' H ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -84.56 19.11 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 64.1 mtt180 -91.96 167.94 11.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 mp -62.8 127.08 29.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.467 ' O ' ' C ' ' A' ' 14' ' ' LYS . . . -152.84 139.54 18.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 13' ' ' ALA . 5.9 ptpp? 32.94 50.24 0.21 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -70.96 -37.46 72.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 17' ' ' GLU . 12.5 ptmt -57.65 -25.99 60.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 16' ' ' LYS . 6.0 mm-40 -37.0 -35.08 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.934 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.6 t -38.27 -43.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -53.52 -46.5 70.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.937 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.26 -62.05 1.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.113 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.479 ' O ' HG23 ' A' ' 25' ' ' THR . 4.4 p-10 -66.31 -50.23 64.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -41.32 -32.62 0.32 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 23.3 mt -82.61 -38.49 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.138 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 25' ' ' THR . 23.1 m -66.18 -40.4 90.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.811 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.479 HG23 ' O ' ' A' ' 21' ' ' ASP . 54.1 p -34.11 -40.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.575 ' CE2' ' CG2' ' A' ' 91' ' ' VAL . 5.8 p90 -126.03 103.0 7.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.7 p -154.15 151.11 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.115 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.423 ' HB2' ' CG ' ' A' ' 92' ' ' LYS . 33.5 tp10 -127.59 129.48 47.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.504 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 43.8 m95 -121.62 118.84 30.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.452 ' HG2' ' CB ' ' A' ' 39' ' ' CYS . 45.0 mt-30 -123.33 155.21 37.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.544 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 13.8 p90 -123.93 144.2 49.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.533 HG13 HG23 ' A' ' 37' ' ' THR . 2.2 mp -98.28 109.04 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.147 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.518 ' O ' ' C ' ' A' ' 34' ' ' LYS . 18.4 t70 -74.76 167.83 21.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.518 ' C ' ' O ' ' A' ' 33' ' ' ASP . 35.0 mttt -28.51 -72.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -123.15 18.84 9.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.0 mp -132.26 154.1 39.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.181 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.533 HG23 HG13 ' A' ' 32' ' ' ILE . 19.2 m -123.43 103.97 8.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.152 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -120.27 -179.75 4.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.452 ' CB ' ' HG2' ' A' ' 30' ' ' GLN . 31.7 p -127.93 159.3 35.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.544 ' CZ ' ' HB3' ' A' ' 31' ' ' TYR . 99.6 m-85 -79.37 166.34 22.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -75.31 -178.03 3.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.8 pptp? -73.24 -26.29 61.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.473 ' HG3' ' N ' ' A' ' 44' ' ' THR . 16.2 ptm -79.75 -38.87 32.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.473 ' N ' ' HG3' ' A' ' 43' ' ' MET . 96.8 m -82.63 -38.69 23.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -38.89 -41.51 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.524 ' O ' HG22 ' A' ' 50' ' ' VAL . 8.8 ptp -77.55 -41.83 37.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -45.57 -22.71 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.442 HD11 ' CE2' ' A' ' 40' ' ' PHE . 94.2 mt -96.08 -56.81 2.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.438 ' C ' ' OE1' ' A' ' 49' ' ' GLU . 0.7 OUTLIER -50.06 -38.56 38.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.562 HG23 ' N ' ' A' ' 51' ' ' ALA . 34.2 m -62.33 -48.38 88.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.562 ' N ' HG23 ' A' ' 50' ' ' VAL . . . -64.44 -32.18 73.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.1 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.47 ' HB2' HD22 ' A' ' 72' ' ' LEU . 14.1 t90 -74.6 -39.57 62.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.42 ' NZ ' ' HB3' ' A' ' 53' ' ' LYS . 0.2 OUTLIER -71.21 -36.98 72.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.87 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.09 10.1 3.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt 53.86 39.78 30.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.47 ' O ' HD12 ' A' ' 72' ' ' LEU . 41.3 mmtt -76.81 162.78 27.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.876 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -83.38 -38.17 22.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.0 p30 -166.84 152.44 7.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.468 ' HB ' ' CB ' ' A' ' 51' ' ' ALA . 14.0 t -132.12 131.58 42.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.4 t -86.45 134.09 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.553 HG23 HG13 ' A' ' 63' ' ' ILE . 32.8 m -138.53 151.98 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -81.37 106.39 13.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.667 HG22 ' CD2' ' A' ' 64' ' ' HIS . 81.6 mt -118.27 116.69 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.667 ' CD2' HG22 ' A' ' 63' ' ' ILE . 8.7 m170 66.41 40.52 3.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.5 t30 64.4 25.67 13.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.485 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.7 pt20 -146.97 127.19 13.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.73 133.3 55.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.576 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.8 m-85 -128.87 151.32 49.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 57.7 m -98.75 107.25 19.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.107 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.582 HG22 ' HB2' ' A' ' 77' ' ' ALA . 75.5 t -96.12 115.83 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 75' ' ' ASN . 3.5 t0 -93.44 121.86 35.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.47 HD12 ' O ' ' A' ' 56' ' ' LYS . 9.7 mt -73.22 -41.97 63.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.8 t -42.53 -53.02 4.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.824 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.448 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 10.2 t -102.01 -19.84 15.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.138 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.448 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.2 m120 70.79 52.66 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.724 HG23 ' O ' ' A' ' 85' ' ' PHE . 99.7 m -141.22 135.07 30.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.182 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.582 ' HB2' HG22 ' A' ' 70' ' ' VAL . . . -92.81 148.64 21.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.058 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.672 HG23 HG22 ' A' ' 84' ' ' THR . 21.1 m -151.38 145.37 25.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.576 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -135.4 153.71 78.06 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.56 0.695 . . . . 0.0 111.138 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 3.31 2.84 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.692 2.261 . . . . 0.0 112.385 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -88.17 -39.66 14.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 127.99 33.06 0.61 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.494 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.4 mp0 -134.38 136.02 43.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.911 0.386 . . . . 0.0 110.898 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.672 HG22 HG23 ' A' ' 78' ' ' THR . 33.1 p -135.72 144.99 46.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.201 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.724 ' O ' HG23 ' A' ' 76' ' ' THR . 0.8 OUTLIER -136.3 175.59 9.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.2 m -121.52 123.55 42.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.172 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.9 m -96.98 134.73 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.148 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.958 ' HG3' HD11 ' A' ' 90' ' ' LEU . 10.0 pt20 -126.15 142.94 51.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.504 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 43.5 ttt-85 -99.07 124.18 43.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.958 HD11 ' HG3' ' A' ' 88' ' ' GLN . 0.6 OUTLIER -132.31 122.69 25.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.575 ' CG2' ' CE2' ' A' ' 26' ' ' TYR . 10.3 p -78.92 133.85 29.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.423 ' CG ' ' HB2' ' A' ' 28' ' ' GLU . 42.6 mmtt -109.81 83.73 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -96.2 92.32 6.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 87.4 p -97.36 106.35 18.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -94.45 -158.74 33.51 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.459 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -50.33 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.689 2.259 . . . . 0.0 112.334 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 22.9 t -130.13 147.81 51.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.3 m -147.75 162.0 40.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 -179.952 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.8 p -166.34 129.89 2.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 0.0 110.858 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.5 t -160.09 140.86 12.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.91 -149.7 26.0 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.9 p -148.7 130.71 15.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.873 0.368 . . . . 0.0 110.872 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.2 p -161.34 162.93 31.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.77 -167.62 42.52 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.468 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.78 159.05 2.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.761 0.315 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.0 t -64.67 142.57 58.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.4 mm -68.0 -50.09 62.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.157 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.4 tpp180 -146.96 147.41 30.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.502 HD13 ' H ' ' A' ' 15' ' ' GLU . 4.3 pp -112.14 161.53 16.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -108.17 82.17 1.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.075 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.403 ' O ' ' OE1' ' A' ' 17' ' ' GLU . 21.8 tttp 41.48 48.0 3.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.502 ' H ' HD13 ' A' ' 12' ' ' LEU . 10.3 tt0 -43.2 -28.04 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -43.19 -29.54 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.418 ' HG2' ' N ' ' A' ' 18' ' ' SER . 1.6 pm0 -40.62 -31.29 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.418 ' N ' ' HG2' ' A' ' 17' ' ' GLU . 3.0 t -49.42 -44.63 45.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 20' ' ' ALA . 24.0 tt0 -50.16 -61.15 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 19' ' ' GLN . . . -34.26 -52.38 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 22' ' ' TYR . 30.9 m-20 -63.91 -58.11 7.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.874 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.429 ' C ' ' O ' ' A' ' 21' ' ' ASP . 26.9 t80 -35.28 -40.04 0.13 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.7 mt -82.51 -53.22 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.119 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.9 m -45.63 -42.17 11.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.8 p -38.98 -40.32 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.157 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.585 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 50.5 p90 -129.09 103.19 6.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.414 HG22 ' N ' ' A' ' 28' ' ' GLU . 13.2 p -153.92 154.41 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.141 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.414 ' N ' HG22 ' A' ' 27' ' ' VAL . 9.0 tp10 -134.08 148.19 50.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.51 ' CE3' ' HB3' ' A' ' 48' ' ' LEU . 44.5 m95 -133.15 121.32 22.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.945 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.423 ' HG2' ' CB ' ' A' ' 39' ' ' CYS . 40.7 mt-30 -124.59 154.0 41.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.568 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 14.7 p90 -122.71 147.08 46.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.525 HG13 HG23 ' A' ' 37' ' ' THR . 2.2 mp -100.07 108.42 22.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' A' ' 36' ' ' ILE . 13.9 t70 -73.89 167.8 20.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.509 ' C ' ' O ' ' A' ' 33' ' ' ASP . 33.8 mtpt -29.09 -70.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -123.94 18.7 9.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.522 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.0 mp -132.31 154.23 39.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.525 HG23 HG13 ' A' ' 32' ' ' ILE . 14.2 m -121.89 99.75 6.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.118 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -112.35 175.63 5.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.423 ' CB ' ' HG2' ' A' ' 30' ' ' GLN . 30.1 p -122.36 162.56 21.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 76.1 m-85 -85.69 161.83 19.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -71.58 174.22 6.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.401 ' O ' ' OD1' ' A' ' 45' ' ' ASN . 35.5 pttt -70.68 -24.87 62.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 30.6 mtp -82.74 -28.86 30.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 47' ' ' LYS . 62.2 m -88.46 -44.64 10.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.181 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 42' ' ' LYS . 0.2 OUTLIER -38.06 -41.31 0.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.575 ' O ' HG13 ' A' ' 50' ' ' VAL . 6.6 ptp -73.35 -37.97 65.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 44' ' ' THR . 49.4 mtmt -55.96 -27.28 51.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.51 ' HB3' ' CE3' ' A' ' 29' ' ' TRP . 92.8 mt -87.46 -49.03 7.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.465 ' CG ' ' N ' ' A' ' 50' ' ' VAL . 4.7 pt-20 -58.56 -45.67 88.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.575 HG13 ' O ' ' A' ' 46' ' ' MET . 29.3 m -51.93 -44.47 38.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.489 ' HB1' HD11 ' A' ' 72' ' ' LEU . . . -69.34 -34.17 74.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.598 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 9.4 t90 -74.83 -29.6 61.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.965 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.469 ' HE3' ' CE3' ' A' ' 52' ' ' TRP . 5.6 mmpt? -82.61 -34.34 27.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.837 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.0 12.99 2.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.114 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp 53.0 39.41 29.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -77.84 170.49 16.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -93.15 -36.28 12.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.2 p30 -167.18 153.42 8.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.9 t -131.65 136.18 47.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.7 t -90.07 135.03 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.143 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.6 HG23 HG13 ' A' ' 63' ' ' ILE . 30.0 m -139.83 154.88 24.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.3 mp0 -84.95 103.86 14.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.95 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.632 HG22 ' CD2' ' A' ' 64' ' ' HIS . 75.3 mt -116.31 114.6 46.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.632 ' CD2' HG22 ' A' ' 63' ' ' ILE . 8.5 m170 68.27 41.01 1.97 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 62.79 27.07 15.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.478 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 1.5 pt20 -147.16 127.37 13.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -61.85 132.94 54.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.508 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.9 m-85 -129.29 150.86 50.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 58.9 m -99.62 106.95 18.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.487 HG22 ' HB2' ' A' ' 77' ' ' ALA . 66.9 t -93.35 115.78 32.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 75' ' ' ASN . 7.0 t0 -92.81 119.39 32.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.489 HD11 ' HB1' ' A' ' 51' ' ' ALA . 8.7 mt -72.9 -40.73 65.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 t -43.92 -55.33 4.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.422 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 8.9 t -98.92 -18.78 17.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.121 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.422 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.3 m120 70.35 54.8 0.3 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.805 HG23 ' O ' ' A' ' 85' ' ' PHE . 97.8 m -144.76 136.29 25.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.487 ' HB2' HG22 ' A' ' 70' ' ' VAL . . . -92.89 146.28 23.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.689 HG23 HG22 ' A' ' 84' ' ' THR . 14.9 m -147.97 148.98 31.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.096 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.508 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -139.79 153.89 70.37 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.584 0.707 . . . . 0.0 111.072 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 3.31 2.84 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.665 2.244 . . . . 0.0 112.348 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -88.95 -38.2 14.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.954 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.7 34.88 0.62 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.52 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 11.6 mp0 -134.88 135.59 41.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.863 0.363 . . . . 0.0 110.903 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.689 HG22 HG23 ' A' ' 78' ' ' THR . 43.4 p -137.4 144.84 42.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.805 ' O ' HG23 ' A' ' 76' ' ' THR . 0.8 OUTLIER -137.63 174.01 11.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 28.7 m -115.86 123.84 49.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.179 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.6 m -97.42 135.2 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.586 ' HG3' HD11 ' A' ' 90' ' ' LEU . 9.0 pt20 -130.39 133.6 46.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.543 ' C ' HD13 ' A' ' 90' ' ' LEU . 50.0 ttt-85 -96.03 126.0 40.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.792 ' N ' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -115.32 163.39 15.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.589 ' O ' HG13 ' A' ' 91' ' ' VAL . 7.3 p -118.88 106.01 18.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.067 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.5 mmtm -101.95 116.37 32.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -128.6 140.39 51.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.6 t -48.33 -54.26 14.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.832 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 177.78 -105.78 0.2 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 170.04 17.4 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.675 2.25 . . . . 0.0 112.362 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.9 t -55.41 147.91 16.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.8 m -131.34 164.91 24.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.513 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 3' ' ' SER . 9.3 m -107.09 137.78 44.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.937 0.399 . . . . 0.0 110.806 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 2' ' ' SER . 81.4 p 34.68 42.27 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.851 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.3 -80.48 1.27 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.459 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.6 m -42.65 150.12 0.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.829 0.347 . . . . 0.0 110.894 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.2 t -56.25 -51.58 67.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.819 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.66 -150.03 7.6 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -118.9 40.48 3.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.83 0.347 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.1 t -71.05 100.0 1.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.6 pt -151.53 139.97 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.131 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -128.06 98.93 5.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.668 HD13 ' H ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -81.52 169.05 17.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.01 178.23 9.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.083 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 17' ' ' GLU . 22.6 tptt -132.6 125.6 30.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -39.96 -49.04 2.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.936 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 18' ' ' SER . 24.0 mtmm -64.69 -31.21 72.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 14' ' ' LYS . 4.6 tp10 -37.24 -31.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 16' ' ' LYS . 4.0 t -47.72 -49.56 27.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.424 ' O ' ' C ' ' A' ' 20' ' ' ALA . 18.6 pt20 -83.89 -40.28 18.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 19' ' ' GLN . . . -34.94 -60.07 0.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.089 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.494 ' O ' HG23 ' A' ' 25' ' ' THR . 10.0 p-10 -60.75 -44.6 96.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -46.52 -46.29 19.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.936 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.417 ' HB ' ' NZ ' ' A' ' 53' ' ' LYS . 28.9 mt -80.2 -47.56 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.106 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 26' ' ' TYR . 17.3 m -44.76 -46.11 10.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 21' ' ' ASP . 29.4 p -34.6 -32.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.496 ' N ' ' O ' ' A' ' 24' ' ' SER . 3.3 p90 -134.41 105.51 6.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.625 HG11 ' CD ' ' A' ' 49' ' ' GLU . 9.8 p -154.13 157.81 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.132 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -134.63 133.66 40.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.483 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 43.1 m95 -128.38 119.35 24.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.423 ' HG2' ' CB ' ' A' ' 39' ' ' CYS . 48.3 mt-30 -124.63 148.02 48.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 29.6 p90 -116.64 142.54 46.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.547 HG13 HG23 ' A' ' 37' ' ' THR . 2.1 mp -96.32 107.25 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.189 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' A' ' 36' ' ' ILE . 6.2 t70 -73.62 167.5 21.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.511 ' C ' ' O ' ' A' ' 33' ' ' ASP . 11.3 mmmt -29.18 -72.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -122.19 17.92 10.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' A' ' 33' ' ' ASP . 3.2 mp -132.27 151.94 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.547 HG23 HG13 ' A' ' 32' ' ' ILE . 17.3 m -120.13 97.81 5.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -114.76 179.1 4.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.423 ' CB ' ' HG2' ' A' ' 30' ' ' GLN . 27.3 p -124.7 161.06 27.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 31' ' ' TYR . 98.2 m-85 -75.79 179.13 5.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.77 169.5 14.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -66.17 -15.95 63.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 62.4 mtm -92.26 -38.81 11.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 47' ' ' LYS . 99.2 m -78.45 -43.01 28.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -37.95 -39.63 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.741 ' O ' HG22 ' A' ' 50' ' ' VAL . 7.1 ptp -79.66 -37.7 35.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 44' ' ' THR . 45.3 mttm -54.51 -20.28 7.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.527 HD23 ' CG2' ' A' ' 59' ' ' THR . 69.3 mt -93.76 -59.61 1.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.625 ' CD ' HG11 ' A' ' 27' ' ' VAL . 6.6 pt-20 -47.76 -42.8 26.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.741 HG22 ' O ' ' A' ' 46' ' ' MET . 20.6 m -58.38 -37.62 64.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.48 -30.99 57.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.095 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.539 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 10.0 t90 -75.38 -32.5 60.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.417 ' NZ ' ' HB ' ' A' ' 23' ' ' ILE . 6.4 mmmm -87.04 -30.72 20.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.69 7.93 4.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt 59.81 41.26 18.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.4 mmtm -85.81 165.42 16.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.19 -37.94 14.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.0 p30 -167.8 154.24 7.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.527 ' CG2' HD23 ' A' ' 48' ' ' LEU . 3.6 t -131.21 132.87 44.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 68' ' ' PHE . 53.9 t -88.79 133.92 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.104 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.577 HG23 HG13 ' A' ' 63' ' ' ILE . 33.5 m -137.21 154.49 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -82.13 104.99 12.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.577 HG13 HG23 ' A' ' 61' ' ' VAL . 85.5 mt -117.99 119.72 62.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.106 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.471 ' CD2' HG22 ' A' ' 63' ' ' ILE . 12.3 m170 64.36 38.6 7.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 64.37 27.2 13.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.485 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.3 pt20 -147.18 129.08 15.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.953 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.81 132.92 54.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.59 ' CZ ' ' CB ' ' A' ' 79' ' ' ALA . 4.1 m-85 -130.03 151.19 50.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 32.6 m -99.85 108.65 20.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.451 HG22 ' HB2' ' A' ' 77' ' ' ALA . 81.8 t -95.5 112.31 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 75' ' ' ASN . 2.9 t70 -90.26 119.38 30.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.499 HD22 ' HB2' ' A' ' 52' ' ' TRP . 6.3 mt -72.43 -41.03 66.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.9 t -42.33 -51.2 4.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.447 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 8.9 t -103.77 -20.27 14.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.164 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.447 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.4 m120 72.47 52.92 0.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.795 HG23 ' O ' ' A' ' 85' ' ' PHE . 95.8 m -142.42 135.69 28.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.451 ' HB2' HG22 ' A' ' 70' ' ' VAL . . . -93.76 146.71 23.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.115 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.474 HG23 HG22 ' A' ' 84' ' ' THR . 45.4 m -145.02 157.3 44.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.59 ' CB ' ' CZ ' ' A' ' 68' ' ' PHE . . . -147.51 152.49 42.02 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.583 0.706 . . . . 0.0 111.056 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 3.33 2.84 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.685 2.256 . . . . 0.0 112.323 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -89.48 -39.2 13.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 127.01 34.39 0.59 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.521 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 12.2 mp0 -133.98 134.84 42.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.908 0.385 . . . . 0.0 110.904 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.474 HG22 HG23 ' A' ' 78' ' ' THR . 44.7 p -135.99 139.05 42.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.795 ' O ' HG23 ' A' ' 76' ' ' THR . 1.0 OUTLIER -130.36 174.17 10.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.6 m -119.25 124.21 46.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.151 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.7 m -97.69 137.39 25.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.09 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.559 ' HG3' HD11 ' A' ' 90' ' ' LEU . 10.8 pt20 -126.61 144.03 51.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.483 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 55.3 ttt-85 -104.02 129.21 51.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.559 HD11 ' HG3' ' A' ' 88' ' ' GLN . 0.8 OUTLIER -132.98 130.41 39.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.938 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.0 p -83.91 139.34 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.1 mmtm -118.23 143.09 46.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -99.83 97.64 8.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.092 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 91.9 p -76.95 124.46 27.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.831 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 162.3 -63.57 0.27 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -174.46 0.9 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.9 t -90.57 -60.84 1.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 97.2 p -159.01 113.64 2.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.475 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.429 -0.269 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.2 m -126.22 149.04 49.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.881 0.372 . . . . 0.0 110.816 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 m -68.26 157.42 35.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.72 -151.2 8.5 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.5 p -75.44 107.49 7.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.363 . . . . 0.0 110.838 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -57.49 -49.4 76.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.33 48.53 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.46 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.77 171.34 9.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.778 0.323 . . . . 0.0 110.937 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.4 p -49.65 163.44 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.71 ' O ' HG23 ' A' ' 10' ' ' ILE . 5.1 tp -74.91 88.13 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.184 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.486 ' C ' HD12 ' A' ' 12' ' ' LEU . 7.6 ttt180 -54.44 -56.01 23.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.486 HD12 ' C ' ' A' ' 11' ' ' ARG . 5.4 mp -141.82 172.86 12.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.39 163.78 3.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.401 ' CD ' ' HB2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -175.21 164.72 3.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -80.88 -36.68 30.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HB2' ' CD ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -47.89 -24.39 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -40.56 -32.4 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.9 m -40.65 -38.98 0.97 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -66.36 -44.51 83.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.593 ' HA ' HD12 ' A' ' 23' ' ' ILE . . . -47.94 -44.76 30.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.04 -37.56 81.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.567 ' O ' HG22 ' A' ' 25' ' ' THR . 11.4 t80 -59.53 -19.23 46.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.593 HD12 ' HA ' ' A' ' 20' ' ' ALA . 18.4 mt -85.09 -57.59 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.167 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 26' ' ' TYR . 75.1 m -61.86 -39.25 91.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.83 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.567 HG22 ' O ' ' A' ' 22' ' ' TYR . 9.4 t -33.81 -35.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.131 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.528 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 38.1 p90 -123.06 102.96 8.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.452 HG22 ' N ' ' A' ' 28' ' ' GLU . 11.0 p -154.07 157.99 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.1 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.452 ' N ' HG22 ' A' ' 27' ' ' VAL . 4.0 tp10 -129.58 134.43 47.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.533 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 45.3 m95 -130.89 118.28 20.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -122.59 152.45 40.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.552 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 25.6 p90 -119.89 138.66 53.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.961 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.574 HG13 HG23 ' A' ' 37' ' ' THR . 2.2 mp -93.45 106.54 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.522 ' OD2' HD13 ' A' ' 36' ' ' ILE . 28.5 t70 -73.67 167.62 21.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.517 ' C ' ' O ' ' A' ' 33' ' ' ASP . 21.7 mtpt -28.41 -73.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -122.42 18.76 10.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.522 HD13 ' OD2' ' A' ' 33' ' ' ASP . 3.0 mp -132.26 148.3 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.574 HG23 HG13 ' A' ' 32' ' ' ILE . 13.1 m -118.06 98.08 6.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.111 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -110.94 177.09 4.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.5 p -124.3 159.54 30.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.552 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 64.7 m-85 -81.84 162.0 22.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -69.91 177.51 3.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -71.75 -28.49 63.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.41 ' HG3' ' N ' ' A' ' 44' ' ' THR . 19.2 ptp -79.24 -44.29 22.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.41 ' N ' ' HG3' ' A' ' 43' ' ' MET . 91.2 m -73.4 -37.4 65.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -41.58 -46.77 3.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.558 ' O ' HG13 ' A' ' 50' ' ' VAL . 9.1 ptp -74.49 -38.03 62.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -50.06 -22.99 1.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.7 mt -96.05 -49.77 5.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -55.03 -36.5 65.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.919 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 46' ' ' MET . 35.9 m -60.38 -43.42 93.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.114 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.468 ' N ' HG23 ' A' ' 50' ' ' VAL . . . -68.07 -32.99 73.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.595 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 8.4 t90 -73.64 -30.44 62.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.44 ' HG3' ' HG ' ' A' ' 24' ' ' SER . 5.6 mmpt? -85.17 -31.24 23.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.91 10.55 3.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt 57.77 37.06 27.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -81.39 167.62 19.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -95.25 -34.66 12.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -164.55 150.01 10.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.412 ' HB ' ' CB ' ' A' ' 51' ' ' ALA . 4.9 t -127.31 140.66 52.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.16 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.0 t -93.96 134.1 32.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.413 HG23 HG13 ' A' ' 63' ' ' ILE . 29.8 m -140.52 151.54 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.165 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -81.29 107.36 14.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.469 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 85.2 mt -119.48 124.65 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 15.9 m170 62.45 31.09 17.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.6 m120 70.99 27.68 3.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.469 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.4 pt20 -146.89 133.79 20.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.1 130.49 45.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.669 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.8 m-85 -129.35 152.58 48.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.6 m -105.3 109.56 21.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.571 HG22 ' HB2' ' A' ' 77' ' ' ALA . 53.3 t -95.29 111.4 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 75' ' ' ASN . 11.6 t70 -88.36 116.32 26.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.5 mt -70.33 -41.59 73.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.8 m -43.55 -51.86 6.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.44 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 9.7 t -102.74 -16.22 16.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.167 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.7 OUTLIER 67.47 54.1 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.751 HG23 ' O ' ' A' ' 85' ' ' PHE . 89.9 m -143.24 135.11 26.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.571 ' HB2' HG22 ' A' ' 70' ' ' VAL . . . -92.94 147.59 22.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.665 HG23 HG22 ' A' ' 84' ' ' THR . 10.6 m -149.05 147.31 28.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.669 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -138.52 153.21 72.36 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.565 0.697 . . . . 0.0 111.107 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 2.75 3.24 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.37 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 -87.4 -35.8 18.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.446 ' C ' ' OE1' ' A' ' 83' ' ' GLN . . . 123.65 35.74 0.67 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.479 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.446 ' OE1' ' C ' ' A' ' 82' ' ' GLY . 7.6 mp0 -136.33 141.87 43.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 0.0 110.904 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.665 HG22 HG23 ' A' ' 78' ' ' THR . 25.3 p -141.4 144.51 34.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.751 ' O ' HG23 ' A' ' 76' ' ' THR . 1.0 OUTLIER -136.69 175.18 9.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.9 m -119.49 124.48 46.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.148 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.5 m -97.09 137.79 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.694 ' HG3' HD11 ' A' ' 90' ' ' LEU . 12.7 pt20 -128.88 139.53 52.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.533 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 51.6 ttt-85 -99.32 129.7 45.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.694 HD11 ' HG3' ' A' ' 88' ' ' GLN . 0.9 OUTLIER -135.0 127.54 30.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.6 t -83.17 119.0 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.417 ' CG ' ' HB2' ' A' ' 28' ' ' GLU . 18.5 mmtp -96.17 81.6 3.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -106.99 82.56 1.7 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.9 t -91.42 136.6 32.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 168.49 73.9 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.524 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -33.07 17.52 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.736 2.291 . . . . 0.0 112.366 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 87.7 p -131.77 177.16 7.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.1 m -117.67 -54.0 2.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.845 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.462 -179.953 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.4 p 41.15 41.7 1.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.924 0.392 . . . . 0.0 110.889 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 t -108.66 155.37 20.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.86 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.81 113.84 3.71 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.469 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 6' ' ' SER . 49.6 p -127.08 -36.74 2.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.36 . . . . 0.0 110.823 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 5' ' ' SER . 43.4 m 34.47 43.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.71 -126.72 7.55 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.447 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -106.69 92.13 3.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.328 . . . . 0.0 110.853 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.4 p -66.29 121.31 14.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.1 mt -103.22 126.71 57.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.139 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.34 151.38 19.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.6 mp -100.98 -57.97 1.98 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.54 -39.61 4.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.091 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt 67.91 42.44 1.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -83.38 -46.07 12.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.4 pttp -40.59 -28.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -37.84 -36.61 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.8 p -45.41 -46.8 13.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -69.55 -50.67 42.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.418 ' CB ' ' HE2' ' A' ' 53' ' ' LYS . . . -41.93 -66.33 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -44.99 -45.9 10.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -49.71 -34.67 19.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 25' ' ' THR . 17.7 mt -94.57 -59.79 2.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.16 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.471 ' O ' ' C ' ' A' ' 25' ' ' THR . 8.8 m -33.18 -35.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.622 HG23 ' CD2' ' A' ' 26' ' ' TYR . 2.0 t -31.92 -42.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.164 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.622 ' CD2' HG23 ' A' ' 25' ' ' THR . 0.2 OUTLIER -123.14 102.98 8.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.938 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.728 HG11 ' CD ' ' A' ' 49' ' ' GLU . 12.0 p -153.78 151.49 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.105 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -130.23 137.06 49.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.436 ' CZ2' ' HA ' ' A' ' 49' ' ' GLU . 50.1 m95 -129.62 112.48 13.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.932 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.418 ' HG2' ' CB ' ' A' ' 39' ' ' CYS . 49.4 mt-30 -120.83 151.96 38.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.569 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 22.8 p90 -117.66 140.48 49.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.608 HG13 HG23 ' A' ' 37' ' ' THR . 2.3 mp -95.74 106.17 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.101 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.516 ' O ' ' C ' ' A' ' 34' ' ' LYS . 28.5 t0 -73.8 167.84 20.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.516 ' C ' ' O ' ' A' ' 33' ' ' ASP . 19.7 mtpp -27.91 -74.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -121.27 18.04 11.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.508 ' O ' ' N ' ' A' ' 33' ' ' ASP . 3.5 mp -132.25 147.16 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.608 HG23 HG13 ' A' ' 32' ' ' ILE . 15.7 m -116.62 100.97 8.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.176 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -114.94 173.44 6.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.418 ' CB ' ' HG2' ' A' ' 30' ' ' GLN . 30.8 p -121.6 158.03 29.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 83.3 m-85 -77.82 178.21 7.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.441 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 10.6 t70 -82.11 179.51 7.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.852 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.0 pttt -71.2 -34.2 70.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.439 ' HA ' ' CE ' ' A' ' 46' ' ' MET . 9.5 mmt -78.29 -42.02 32.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 92.0 m -76.55 -39.8 51.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 41' ' ' ASP . 0.9 OUTLIER -45.45 -41.08 9.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.529 ' O ' HG22 ' A' ' 50' ' ' VAL . 5.5 ptp -79.03 -42.13 27.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.407 ' N ' ' CG ' ' A' ' 46' ' ' MET . 30.9 mttm -45.28 -24.6 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.416 HD22 HG11 ' A' ' 70' ' ' VAL . 33.4 mt -87.69 -50.7 6.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.728 ' CD ' HG11 ' A' ' 27' ' ' VAL . 4.9 pt-20 -55.14 -45.82 75.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.529 HG22 ' O ' ' A' ' 46' ' ' MET . 13.2 m -53.67 -33.4 22.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.463 ' HB1' HD11 ' A' ' 72' ' ' LEU . . . -79.68 -31.31 41.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.603 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 9.8 t90 -72.79 -28.85 62.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.418 ' HE2' ' CB ' ' A' ' 20' ' ' ALA . 6.2 mmmm -90.07 -29.89 18.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.56 12.53 2.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.039 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt 54.86 40.9 32.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -79.63 170.09 17.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.5 tptp -101.41 -32.44 10.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.839 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -174.3 140.93 0.69 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.7 t -120.39 140.11 51.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.7 t -92.5 137.32 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 30.0 m -143.46 153.11 16.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -82.2 108.38 15.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.642 ' CG2' ' CD2' ' A' ' 64' ' ' HIS . 67.3 mt -120.59 110.53 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.642 ' CD2' ' CG2' ' A' ' 63' ' ' ILE . 6.8 m170 72.0 40.4 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 62.93 28.74 16.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 3.3 pt20 -147.19 132.54 18.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -63.93 130.56 44.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.67 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.8 m-85 -129.32 153.69 47.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.3 m -106.34 109.96 22.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.416 HG11 HD22 ' A' ' 48' ' ' LEU . 84.1 t -94.09 109.51 22.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -86.58 119.38 26.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.463 HD11 ' HB1' ' A' ' 51' ' ' ALA . 10.3 mt -73.22 -40.91 64.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.9 t -43.39 -54.85 4.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.447 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 12.9 t -99.66 -19.39 16.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.187 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.447 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.2 m120 71.5 50.74 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.818 HG23 ' O ' ' A' ' 85' ' ' PHE . 97.8 m -140.26 135.8 32.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.404 ' HB3' ' HD2' ' A' ' 85' ' ' PHE . . . -92.82 146.19 23.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.762 HG23 HG22 ' A' ' 84' ' ' THR . 8.3 m -147.41 147.63 30.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.67 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -138.67 153.36 72.22 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.636 0.732 . . . . 0.0 111.074 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 3.26 2.88 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.648 2.232 . . . . 0.0 112.375 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.1 mm-40 -87.84 -37.23 16.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.02 36.1 0.6 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.525 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -136.92 139.44 41.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.914 0.388 . . . . 0.0 110.929 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.762 HG22 HG23 ' A' ' 78' ' ' THR . 30.5 p -140.27 141.0 35.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.818 ' O ' HG23 ' A' ' 76' ' ' THR . 0.7 OUTLIER -133.39 174.21 10.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 91.6 m -117.81 123.74 46.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.41 HG22 ' C ' ' A' ' 75' ' ' ASN . 3.2 m -97.03 137.58 24.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.161 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -125.99 139.31 53.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.417 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 68.0 ttt-85 -106.27 126.23 51.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.59 138.43 54.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.0 t -91.59 103.24 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.489 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 6.9 mmmm -86.75 162.81 17.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 92' ' ' LYS . . . 70.68 40.29 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.3 t -174.99 130.8 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.858 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -170.02 142.45 7.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.47 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 153.7 68.6 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.705 2.27 . . . . 0.0 112.357 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.9 t 49.71 42.91 24.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.4 t -118.95 83.55 2.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.0 p -147.96 133.17 18.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.947 0.403 . . . . 0.0 110.848 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 4' ' ' GLY . 12.3 m -112.77 88.0 2.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.868 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -35.81 -87.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.0 m -139.19 152.88 47.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.924 0.393 . . . . 0.0 110.815 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.0 t -166.54 161.96 16.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.904 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.73 134.48 5.01 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.461 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.51 162.89 13.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.792 0.329 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 t -93.99 158.5 15.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.5 pt -83.31 145.92 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.13 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 58.1 mtt-85 -104.38 165.63 10.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.3 mt -106.42 40.95 1.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -132.96 155.3 49.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -80.23 134.99 36.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -67.96 -38.29 82.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' A' ' 18' ' ' SER . 0.9 OUTLIER -44.72 -30.47 0.95 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 16' ' ' LYS . 6.4 tm-20 -38.03 -28.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 16' ' ' LYS . 4.1 t -46.78 -45.15 19.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 20' ' ' ALA . 10.2 pt20 -76.21 -41.91 47.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 19' ' ' GLN . . . -34.4 -64.49 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 23' ' ' ILE . 6.6 p-10 -63.67 -53.82 45.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.501 ' CE1' ' OH ' ' A' ' 26' ' ' TYR . 28.0 t80 -35.94 -31.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 21' ' ' ASP . 53.8 mt -85.7 -65.53 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.108 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 23' ' ' ILE . 47.0 m -34.67 -42.88 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 24' ' ' SER . 14.2 p -34.43 -54.59 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.164 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.501 ' OH ' ' CE1' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -117.54 102.82 9.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.937 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.405 ' O ' HG13 ' A' ' 27' ' ' VAL . 12.3 p -154.33 129.51 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.169 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.457 ' O ' ' CD1' ' A' ' 90' ' ' LEU . 9.7 tp10 -125.99 113.22 16.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.454 ' NE1' ' HB3' ' A' ' 49' ' ' GLU . 33.2 m95 -97.84 124.44 42.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -125.01 155.9 38.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 12.7 p90 -122.58 140.63 52.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.506 HG13 HG23 ' A' ' 37' ' ' THR . 1.9 mp -92.98 108.85 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.146 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' A' ' 36' ' ' ILE . 20.8 t70 -73.8 167.62 21.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 33' ' ' ASP . 4.9 mmmm -30.83 -70.67 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -122.49 16.84 10.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.54 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.9 mp -132.28 154.1 39.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.506 HG23 HG13 ' A' ' 32' ' ' ILE . 19.6 m -120.82 98.89 6.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.187 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -109.61 177.38 4.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.5 m -121.38 162.72 19.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.589 ' CD2' ' CD1' ' A' ' 48' ' ' LEU . 46.5 m-85 -80.4 174.19 11.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -83.25 179.28 7.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 43' ' ' MET . 28.5 pttt -69.85 -34.99 74.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.458 ' HG3' ' N ' ' A' ' 44' ' ' THR . 20.4 ptp -79.09 -40.21 31.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.458 ' N ' ' HG3' ' A' ' 43' ' ' MET . 24.6 m -74.11 -35.08 64.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.18 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -46.52 -45.39 18.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.582 ' O ' HG22 ' A' ' 50' ' ' VAL . 10.6 ptp -77.02 -39.07 51.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.0 mttm -49.29 -26.06 2.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.589 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 19.4 mt -91.53 -57.99 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.955 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.454 ' HB3' ' NE1' ' A' ' 29' ' ' TRP . 0.3 OUTLIER -49.44 -37.69 26.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.604 HG23 ' N ' ' A' ' 51' ' ' ALA . 33.1 m -62.82 -51.11 76.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.604 ' N ' HG23 ' A' ' 50' ' ' VAL . . . -60.89 -32.27 71.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.054 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.547 ' CE3' ' NH1' ' A' ' 89' ' ' ARG . 11.2 t90 -71.47 -36.39 71.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.418 ' NZ ' ' O ' ' A' ' 20' ' ' ALA . 4.9 mmmm -80.79 -33.19 35.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.8 4.21 6.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.074 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.6 mttt 62.54 41.4 9.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -80.61 173.84 12.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.6 tppt? -104.27 -29.89 10.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -172.34 138.16 0.92 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.568 HG21 HD23 ' A' ' 48' ' ' LEU . 9.1 t -116.02 133.16 56.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.5 t -87.88 135.0 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.186 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.559 HG23 HG13 ' A' ' 63' ' ' ILE . 30.1 m -143.17 149.56 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -79.67 102.3 8.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.559 HG13 HG23 ' A' ' 61' ' ' VAL . 89.0 mt -115.07 126.51 72.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.451 ' CD2' HG22 ' A' ' 63' ' ' ILE . 11.9 m170 62.4 34.33 15.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 66.79 27.82 9.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.484 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 0.6 OUTLIER -147.11 134.59 20.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -62.17 130.36 45.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.691 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.5 m-85 -129.18 164.93 22.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.8 m -115.85 109.51 17.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.539 HG11 HD22 ' A' ' 48' ' ' LEU . 56.1 t -90.83 105.0 15.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.133 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 75' ' ' ASN . 1.9 t70 -81.89 119.59 24.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 52' ' ' TRP . 15.0 mt -80.05 -39.4 29.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 m -44.28 -32.9 1.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.8 t -127.11 -13.46 5.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 71' ' ' ASP . 2.9 m-20 69.47 54.87 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.708 HG23 ' O ' ' A' ' 85' ' ' PHE . 98.7 m -141.91 135.57 29.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.158 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -95.03 149.35 21.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.095 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.716 HG23 HG22 ' A' ' 84' ' ' THR . 8.5 m -151.07 148.33 28.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.691 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -139.37 152.93 70.31 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 0.0 111.083 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 2.05 3.87 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.679 2.252 . . . . 0.0 112.363 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 64.9 mm-40 -86.22 -35.7 19.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.943 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 123.47 33.03 0.84 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -133.82 136.26 44.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.918 0.389 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.716 HG22 HG23 ' A' ' 78' ' ' THR . 32.1 p -134.66 142.49 46.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.708 ' O ' HG23 ' A' ' 76' ' ' THR . 0.8 OUTLIER -135.06 175.4 9.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.828 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 92.1 m -124.33 125.83 44.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.161 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.556 HG12 ' HE2' ' A' ' 40' ' ' PHE . 2.7 m -99.53 140.9 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -132.63 135.41 45.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.547 ' NH1' ' CE3' ' A' ' 52' ' ' TRP . 34.9 ttt180 -89.09 130.98 35.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.465 ' N ' HD12 ' A' ' 90' ' ' LEU . 0.3 OUTLIER -136.4 142.14 43.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.4 ' O ' HG13 ' A' ' 91' ' ' VAL . 12.3 p -101.5 129.55 52.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -84.6 88.2 7.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -124.59 155.85 38.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 35.8 t -115.8 111.08 19.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -130.32 -94.73 0.71 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 151.84 68.81 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.707 2.271 . . . . 0.0 112.284 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 18.8 m -109.28 -46.47 3.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.0 t -52.3 132.64 34.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.9 p -110.47 -45.12 3.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.866 0.365 . . . . 0.0 110.867 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.8 p -143.92 122.71 12.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.51 72.47 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.498 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t -155.48 139.07 15.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.907 0.384 . . . . 0.0 110.824 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.3 t -98.1 124.03 42.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.85 -61.48 5.23 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.484 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.425 ' HD2' ' C ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -93.88 166.77 12.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.787 0.327 . . . . 0.0 110.905 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.7 p -174.68 156.54 2.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.832 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.719 ' O ' HD13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -63.61 149.44 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.905 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -101.36 -44.17 5.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 mp -75.54 87.72 2.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -166.22 -175.93 3.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.075 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.15 35.2 3.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -60.91 -46.63 89.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -41.27 -27.66 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -40.26 -34.86 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.4 t -49.14 -45.54 43.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -55.76 -46.32 77.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.31 -59.62 4.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.059 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 22' ' ' TYR . 27.6 t70 -60.77 -55.81 28.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.432 ' C ' ' O ' ' A' ' 21' ' ' ASP . 12.2 t80 -35.44 -36.26 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.409 ' N ' ' O ' ' A' ' 21' ' ' ASP . 19.5 mt -87.45 -51.63 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.098 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 26' ' ' TYR . 3.2 m -47.41 -42.34 21.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 24' ' ' SER . 12.3 p -34.79 -34.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.162 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.574 ' O ' ' CD1' ' A' ' 26' ' ' TYR . 46.1 p90 -126.53 102.97 7.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.466 HG11 ' OE1' ' A' ' 49' ' ' GLU . 10.0 p -152.96 157.12 4.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.087 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -134.54 122.93 23.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.52 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 37.8 m95 -118.24 126.64 52.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -127.73 155.58 43.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.564 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 34.6 p90 -122.04 138.15 54.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.989 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.489 HD12 ' OE1' ' A' ' 88' ' ' GLN . 2.1 mp -90.89 106.79 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' A' ' 36' ' ' ILE . 19.7 t70 -73.48 167.83 20.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.515 ' C ' ' O ' ' A' ' 33' ' ' ASP . 4.4 mtpm? -28.66 -73.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.403 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 32.7 t30 -121.65 17.09 11.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.522 ' O ' ' N ' ' A' ' 33' ' ' ASP . 3.1 mp -132.18 148.29 32.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.472 HG23 HG13 ' A' ' 32' ' ' ILE . 26.1 m -116.61 99.64 7.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.165 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -111.69 172.77 6.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.5 p -117.51 167.37 11.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 55.2 m-85 -90.24 168.64 11.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -81.36 172.98 12.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.29 -19.22 63.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 17.8 mtm -85.7 -29.99 23.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 47' ' ' LYS . 17.9 m -89.12 -48.25 7.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.171 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.444 ' ND2' ' C ' ' A' ' 45' ' ' ASN . 0.1 OUTLIER -35.0 -36.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.716 ' O ' HG22 ' A' ' 50' ' ' VAL . 6.9 ptp -76.8 -45.36 29.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.833 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 44' ' ' THR . 42.4 mtmt -49.91 -23.05 1.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.588 ' HA ' HG21 ' A' ' 59' ' ' THR . 19.4 mt -92.35 -65.24 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.466 ' OE1' HG11 ' A' ' 27' ' ' VAL . 6.1 pt-20 -43.45 -42.01 4.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.716 HG22 ' O ' ' A' ' 46' ' ' MET . 22.0 m -55.61 -39.35 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.562 ' CB ' HD11 ' A' ' 72' ' ' LEU . . . -74.97 -31.84 61.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.067 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.551 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 9.8 t90 -74.34 -31.6 62.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.1 mmmt -89.38 -26.08 21.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.47 13.93 5.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm 53.76 39.02 29.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.7 mmtm -85.0 164.1 18.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.841 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -88.47 -35.34 17.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.6 p30 -170.49 154.1 4.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.588 HG21 ' HA ' ' A' ' 48' ' ' LEU . 3.9 t -128.43 133.99 48.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.7 t -85.79 135.27 25.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.176 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 18.4 m -141.62 147.84 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.2 mp0 -78.43 108.39 11.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.475 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 71.5 mt -121.38 124.65 72.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 18.1 m170 62.55 34.48 15.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.7 m120 67.16 28.03 8.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.475 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.4 pt20 -147.09 133.34 19.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -62.03 131.4 49.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.647 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.7 m-85 -129.48 156.97 43.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.4 m -109.22 108.49 19.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.442 HG11 HD22 ' A' ' 48' ' ' LEU . 80.8 t -92.31 112.2 25.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -90.19 123.99 34.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.562 HD11 ' CB ' ' A' ' 51' ' ' ALA . 7.5 mt -80.56 -31.17 36.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.9 t -46.1 -42.21 13.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.9 t -121.1 -11.88 8.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.175 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.456 ' HB3' HG23 ' A' ' 87' ' ' VAL . 2.5 m-20 70.77 54.97 0.26 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.827 HG23 ' O ' ' A' ' 85' ' ' PHE . 93.5 m -141.88 136.44 30.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.144 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -95.17 148.58 22.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.091 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.807 HG23 HG22 ' A' ' 84' ' ' THR . 11.3 m -148.43 148.8 30.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.647 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -139.31 152.87 70.31 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.541 0.686 . . . . 0.0 111.111 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 2.36 3.58 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.356 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -86.98 -36.1 18.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.413 ' C ' ' OE1' ' A' ' 83' ' ' GLN . . . 123.73 34.23 0.76 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.513 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.413 ' OE1' ' C ' ' A' ' 82' ' ' GLY . 11.4 mp0 -136.56 135.26 38.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.917 0.389 . . . . 0.0 110.872 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.807 HG22 HG23 ' A' ' 78' ' ' THR . 31.3 p -136.37 142.55 43.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.827 ' O ' HG23 ' A' ' 76' ' ' THR . 0.7 OUTLIER -133.38 175.44 9.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.3 m -120.9 125.35 47.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.475 HG12 ' HE2' ' A' ' 40' ' ' PHE . 1.8 m -96.87 139.15 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.159 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.489 ' OE1' HD12 ' A' ' 32' ' ' ILE . 17.5 pm0 -125.49 138.55 53.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.52 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 54.1 ttt-85 -98.36 126.41 43.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.486 ' N ' HD12 ' A' ' 90' ' ' LEU . 1.9 mp -135.21 130.92 36.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.9 p -87.84 142.17 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.4 mmtm -130.75 122.57 27.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -163.65 136.37 5.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.139 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.2 p -47.12 106.62 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.828 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -131.58 -166.83 11.75 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.482 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -49.43 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.671 2.247 . . . . 0.0 112.348 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 38.2 t -71.22 133.63 46.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 93.4 p -66.69 108.7 2.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.462 179.955 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.3 p -154.83 149.9 26.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.903 0.383 . . . . 0.0 110.851 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 t -140.04 160.32 40.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.801 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.98 -48.5 7.66 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 6' ' ' SER . 96.7 p 39.57 42.34 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.929 0.395 . . . . 0.0 110.91 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 5' ' ' SER . 84.5 p 36.17 44.18 0.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.36 144.79 17.12 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.531 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -157.81 158.18 34.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.822 0.344 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 10' ' ' ILE . 73.7 m -120.76 145.8 47.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.697 ' H ' HD12 ' A' ' 10' ' ' ILE . 5.3 mp -33.77 138.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.095 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.465 ' N ' ' HD2' ' A' ' 11' ' ' ARG . 3.1 mpt_? -85.68 95.75 9.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -145.6 137.62 25.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.81 170.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.092 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.487 ' HD2' ' N ' ' A' ' 15' ' ' GLU . 1.1 tmmm? -166.99 153.03 8.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.487 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 3.7 pt-20 -40.52 -28.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -41.09 -26.85 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 15' ' ' GLU . 31.8 tt0 -37.09 -38.04 0.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.1 t -46.36 -47.81 18.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -75.56 -50.26 16.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.36 -57.95 3.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.94 -48.97 79.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.456 ' O ' ' CE2' ' A' ' 26' ' ' TYR . 16.6 t80 -42.95 -43.65 4.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.97 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.421 ' HA ' ' CZ ' ' A' ' 26' ' ' TYR . 43.9 mt -71.31 -61.81 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.141 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 25' ' ' THR . 73.3 m -39.45 -47.47 1.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 24' ' ' SER . 0.2 OUTLIER -32.96 -44.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.171 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.464 ' O ' ' CD1' ' A' ' 26' ' ' TYR . 22.3 p90 -117.49 102.98 9.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.962 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.0 p -151.53 153.9 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.527 ' O ' HD12 ' A' ' 90' ' ' LEU . 3.2 tp10 -137.49 115.26 11.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.536 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 42.7 m95 -106.7 123.23 47.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -128.53 150.53 50.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 32.1 p90 -116.5 144.3 44.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.597 HG13 HG23 ' A' ' 37' ' ' THR . 2.3 mp -99.64 105.53 17.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.148 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 36' ' ' ILE . 18.9 t70 -73.44 167.77 20.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.51 ' C ' ' O ' ' A' ' 33' ' ' ASP . 12.2 mmmt -28.72 -73.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.407 ' H ' HD12 ' A' ' 36' ' ' ILE . 8.6 t-20 -121.87 18.52 11.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.527 ' O ' ' N ' ' A' ' 33' ' ' ASP . 2.2 mp -132.14 146.22 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.138 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.597 HG23 HG13 ' A' ' 32' ' ' ILE . 17.8 m -117.48 97.75 6.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -110.94 179.15 4.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.3 p -122.3 164.91 17.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 31' ' ' TYR . 81.2 m-85 -84.82 162.38 19.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -67.81 179.16 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -73.25 -35.84 66.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.8 mtp -75.54 -38.81 59.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 90.0 m -75.77 -39.35 57.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.448 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 4.2 t-20 -39.35 -48.44 1.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.821 ' O ' HG22 ' A' ' 50' ' ' VAL . 7.6 ptp -73.3 -39.69 65.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.5 mttm -48.32 -22.56 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.5 HD22 HG11 ' A' ' 70' ' ' VAL . 62.5 mt -92.74 -57.13 2.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -50.22 -41.09 49.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.821 HG22 ' O ' ' A' ' 46' ' ' MET . 10.8 m -58.2 -35.15 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.672 ' HB1' HD11 ' A' ' 72' ' ' LEU . . . -77.46 -30.76 53.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.051 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.533 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 10.2 t90 -76.5 -32.34 58.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt -85.68 -31.39 22.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.75 14.97 1.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.1 mtmm 51.47 38.47 22.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp -81.14 163.28 23.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.62 -35.46 18.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.5 p30 -172.43 153.44 2.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.2 t -128.68 136.8 51.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.135 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.0 t -87.63 139.5 17.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.578 HG23 HG13 ' A' ' 63' ' ' ILE . 33.1 m -144.6 153.97 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -84.42 103.95 14.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.578 HG13 HG23 ' A' ' 61' ' ' VAL . 78.6 mt -117.22 123.25 71.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.494 ' CD2' HG22 ' A' ' 63' ' ' ILE . 12.4 m170 63.5 37.43 10.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 64.6 27.67 13.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.474 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.7 pt20 -147.11 132.54 18.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.01 131.51 49.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.679 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.6 m-85 -129.34 156.26 44.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 48.1 m -107.08 109.02 20.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.079 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.5 HG11 HD22 ' A' ' 48' ' ' LEU . 69.4 t -92.77 113.7 28.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.086 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -92.68 120.29 32.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.81 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.672 HD11 ' HB1' ' A' ' 51' ' ' ALA . 6.9 mt -74.31 -41.41 61.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.4 t -44.14 -55.53 4.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.817 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.45 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 9.0 t -97.55 -20.88 17.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.156 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.45 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.3 m120 71.67 49.8 0.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.782 HG23 ' O ' ' A' ' 85' ' ' PHE . 97.6 m -140.12 136.17 33.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.407 ' HB3' ' HD2' ' A' ' 85' ' ' PHE . . . -93.02 145.44 24.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.703 HG23 HG22 ' A' ' 84' ' ' THR . 9.0 m -146.58 149.7 34.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.679 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -141.41 153.31 65.71 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.604 0.716 . . . . 0.0 111.078 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 3.12 2.95 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.723 2.282 . . . . 0.0 112.329 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 -88.03 -36.21 17.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 123.7 33.54 0.8 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -134.02 139.75 46.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.92 0.391 . . . . 0.0 110.867 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.703 HG22 HG23 ' A' ' 78' ' ' THR . 31.4 p -140.31 143.07 35.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.782 ' O ' HG23 ' A' ' 76' ' ' THR . 0.8 OUTLIER -135.06 175.16 9.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.2 m -118.55 124.25 47.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.095 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.421 HG22 ' C ' ' A' ' 75' ' ' ASN . 3.0 m -97.08 136.16 28.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.464 ' HG3' HD11 ' A' ' 90' ' ' LEU . 13.8 pt20 -127.21 137.08 52.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.536 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 64.0 ttt-85 -100.22 128.79 46.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.527 HD12 ' O ' ' A' ' 28' ' ' GLU . 0.8 OUTLIER -129.66 142.24 50.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 99.6 t -104.16 118.9 52.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.108 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.39 81.55 5.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -95.92 95.99 8.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.6 m -73.43 120.44 19.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -144.54 162.68 27.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 175.71 7.71 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.672 2.248 . . . . 0.0 112.357 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.4 t 37.2 42.18 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.81 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.7 m -134.18 157.24 46.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.896 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.497 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m -124.25 -52.85 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.895 0.379 . . . . 0.0 110.852 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.9 m 67.47 42.2 2.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.74 127.91 8.17 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.505 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.1 p -87.17 42.26 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.882 0.373 . . . . 0.0 110.88 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.0 p -73.48 -43.93 59.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.91 -150.37 23.35 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.47 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.419 ' HD3' ' C ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -104.92 154.46 20.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.793 0.33 . . . . 0.0 110.897 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.9 t -149.52 160.27 43.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.888 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.1 pt -100.91 80.2 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.18 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -85.04 -36.41 21.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -139.02 154.21 48.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.63 -64.49 1.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -169.84 174.52 5.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -54.96 -41.74 71.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.8 mmtt -43.46 -28.18 0.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.468 ' CD ' ' C ' ' A' ' 17' ' ' GLU . 2.3 tm-20 -38.59 -38.89 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.8 t -43.52 -45.51 6.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 20' ' ' ALA . 28.2 tt0 -70.78 -53.55 15.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 19' ' ' GLN . . . -34.07 -52.39 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.089 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.468 ' O ' HG23 ' A' ' 25' ' ' THR . 11.8 m-20 -67.32 -50.35 60.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.406 ' C ' ' O ' ' A' ' 21' ' ' ASP . 47.8 t80 -38.06 -37.73 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.0 mt -83.46 -55.29 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 25' ' ' THR . 55.2 m -45.51 -41.91 10.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 21' ' ' ASP . 36.0 p -34.04 -40.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.131 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -125.72 104.73 8.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.8 p -153.85 143.29 14.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -126.69 125.65 42.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.478 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 41.3 m95 -111.91 127.06 55.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -127.25 149.52 49.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.514 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 22.3 p90 -118.76 140.28 50.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.504 HG13 HG23 ' A' ' 37' ' ' THR . 2.2 mp -94.04 108.49 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.144 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.518 ' O ' ' C ' ' A' ' 34' ' ' LYS . 30.9 t70 -73.34 167.71 20.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.518 ' C ' ' O ' ' A' ' 33' ' ' ASP . 48.1 mtmt -28.32 -71.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -123.91 18.6 9.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.5 mp -132.21 154.51 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.504 HG23 HG13 ' A' ' 32' ' ' ILE . 14.2 m -121.3 103.94 9.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -118.93 173.77 6.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 31.5 p -124.9 155.64 39.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.514 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 97.8 m-85 -74.88 175.23 8.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.401 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 59.0 m-20 -81.17 178.13 8.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -29.78 67.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.0 mmt -78.38 -50.16 12.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 78.0 m -71.27 -38.36 71.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.401 ' CB ' ' O ' ' A' ' 41' ' ' ASP . 1.1 t30 -40.97 -43.05 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.5 ptp -77.61 -38.82 47.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -48.28 -21.14 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.534 HD22 HG11 ' A' ' 70' ' ' VAL . 96.4 mt -92.27 -48.87 6.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 50' ' ' VAL . 6.8 pt-20 -56.18 -39.33 72.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.451 HG23 ' N ' ' A' ' 51' ' ' ALA . 30.4 m -56.62 -42.34 76.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.603 ' HB1' HD11 ' A' ' 72' ' ' LEU . . . -68.25 -33.03 73.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.117 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.431 ' C ' ' CE3' ' A' ' 52' ' ' TRP . 11.2 t90 -75.26 -39.2 60.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.5 -38.4 71.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.914 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.29 13.67 2.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.8 mtpp 50.26 38.21 16.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.5 mmtm -73.63 168.27 19.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -90.08 -38.15 13.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -168.29 147.38 4.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.521 ' HB ' ' HB2' ' A' ' 51' ' ' ALA . 5.6 t -124.92 131.68 53.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 32.5 t -86.21 140.05 16.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.159 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.56 HG23 HG13 ' A' ' 63' ' ' ILE . 35.4 m -146.69 149.74 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -77.14 103.86 7.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.56 HG13 HG23 ' A' ' 61' ' ' VAL . 57.4 mt -117.33 124.79 73.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.414 ' C ' HD22 ' A' ' 65' ' ' ASN . 7.2 m170 62.87 35.77 13.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.414 HD22 ' C ' ' A' ' 64' ' ' HIS . 2.2 m-80 66.1 26.78 10.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 63' ' ' ILE . 2.3 pt20 -147.33 135.67 21.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -62.31 130.45 45.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.66 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.7 m-85 -129.41 156.35 44.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 49.6 m -107.61 110.42 22.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.534 HG11 HD22 ' A' ' 48' ' ' LEU . 86.6 t -93.54 111.69 25.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.089 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -91.47 122.05 33.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.603 HD11 ' HB1' ' A' ' 51' ' ' ALA . 8.7 mt -77.77 -36.47 50.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.3 t -40.36 -44.69 2.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.9 t -118.57 -15.52 9.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.185 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 72' ' ' LEU . 5.3 m-20 73.62 54.03 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.781 HG23 ' O ' ' A' ' 85' ' ' PHE . 86.1 m -140.06 135.81 33.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -94.71 146.83 23.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.88 HG23 HG22 ' A' ' 84' ' ' THR . 7.4 m -147.88 148.34 30.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.186 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.66 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -138.35 153.2 72.67 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.544 0.688 . . . . 0.0 111.134 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 3.14 2.94 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.692 2.261 . . . . 0.0 112.336 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -87.71 -37.48 16.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.78 34.9 0.62 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.467 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.1 mp0 -136.4 137.74 40.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.899 0.38 . . . . 0.0 110.906 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.88 HG22 HG23 ' A' ' 78' ' ' THR . 32.7 p -138.84 139.79 38.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.781 ' O ' HG23 ' A' ' 76' ' ' THR . 0.7 OUTLIER -131.41 174.31 10.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.7 m -119.64 124.27 45.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.101 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.401 HG23 ' HB3' ' A' ' 75' ' ' ASN . 0.8 OUTLIER -97.15 143.66 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 179.848 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.794 ' HG3' HD11 ' A' ' 90' ' ' LEU . 11.4 pt20 -132.82 141.27 48.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.478 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 47.7 ttt-85 -100.32 127.91 46.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.794 HD11 ' HG3' ' A' ' 88' ' ' GLN . 0.8 OUTLIER -135.85 131.89 35.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 2.6 p -90.37 127.48 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.108 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -95.2 107.83 19.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -105.58 -60.26 1.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.149 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 51.1 m -91.3 101.35 14.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.826 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -123.7 -76.12 0.31 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.492 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 1.69 4.2 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.659 2.239 . . . . 0.0 112.39 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 26.0 t -137.8 136.61 37.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.3 m -51.99 167.34 0.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 179.976 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 t -70.44 131.27 43.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.912 0.387 . . . . 0.0 110.798 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.1 p -51.89 -45.37 64.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.29 -54.14 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.518 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 m -161.43 136.78 7.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 110.892 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.7 m -153.13 137.87 17.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.845 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.53 133.2 2.04 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.466 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.734 ' O ' HG23 ' A' ' 10' ' ' ILE . 2.4 pptp? -126.02 -37.01 2.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.831 0.348 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.461 ' N ' ' HD2' ' A' ' 8' ' ' LYS . 20.2 t -45.13 117.91 1.51 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.734 HG23 ' O ' ' A' ' 8' ' ' LYS . 8.4 pt -140.72 152.71 20.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 46.7 mmm-85 -149.73 168.72 22.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.8 mt -112.21 145.8 39.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.956 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -47.95 173.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.115 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -164.66 158.1 17.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.476 ' HG3' ' N ' ' A' ' 16' ' ' LYS . 12.4 pt-20 -51.05 -43.59 60.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.476 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 31.9 pttt -56.5 -29.86 62.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -38.02 -31.77 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 16' ' ' LYS . 45.3 t -48.11 -46.84 34.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -72.73 -37.36 67.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.98 -59.68 1.39 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.124 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -67.02 -38.0 85.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.489 ' O ' ' CZ ' ' A' ' 26' ' ' TYR . 7.5 t80 -47.95 -37.36 14.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.9 mt -96.6 -51.12 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.072 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.508 ' O ' ' N ' ' A' ' 26' ' ' TYR . 4.3 m -48.58 -43.6 36.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 1.103 HG23 ' CD2' ' A' ' 26' ' ' TYR . 5.0 t -34.16 -32.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.181 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 1.103 ' CD2' HG23 ' A' ' 25' ' ' THR . 1.6 p90 -129.85 105.33 7.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.473 HG11 ' CD ' ' A' ' 49' ' ' GLU . 8.5 p -155.04 139.95 9.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.441 ' CD ' ' HE3' ' A' ' 92' ' ' LYS . 6.8 tt0 -133.22 117.16 17.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.51 ' CE2' ' HG3' ' A' ' 89' ' ' ARG . 56.7 m95 -110.6 121.45 45.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -124.83 148.71 48.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 19.5 p90 -117.97 145.67 44.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.492 HG13 HG23 ' A' ' 37' ' ' THR . 2.3 mp -99.68 105.95 18.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.139 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.53 ' O ' ' C ' ' A' ' 34' ' ' LYS . 15.5 t70 -73.77 167.66 20.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.53 ' C ' ' O ' ' A' ' 33' ' ' ASP . 21.3 mtpp -27.43 -74.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -122.27 19.01 10.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' A' ' 33' ' ' ASP . 3.2 mp -132.32 146.83 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.492 HG23 HG13 ' A' ' 32' ' ' ILE . 23.6 m -116.76 97.75 6.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -112.75 179.61 3.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.4 p -123.34 155.75 36.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 31' ' ' TYR . 90.7 m-85 -71.44 174.7 6.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.854 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -81.69 178.88 8.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -69.42 -35.51 75.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 22.8 mtp -75.49 -47.38 27.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.8 m -69.46 -37.99 77.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -41.07 -46.16 2.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.443 ' O ' HG13 ' A' ' 50' ' ' VAL . 8.0 ptp -78.02 -37.67 46.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -49.32 -28.41 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.408 HD11 ' CE2' ' A' ' 40' ' ' PHE . 95.7 mt -86.14 -53.41 5.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.473 ' CD ' HG11 ' A' ' 27' ' ' VAL . 5.0 pt-20 -51.79 -45.07 63.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.513 HG23 ' N ' ' A' ' 51' ' ' ALA . 27.0 m -52.29 -46.65 45.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.513 ' N ' HG23 ' A' ' 50' ' ' VAL . . . -65.36 -30.13 70.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.055 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.423 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 10.3 t90 -73.0 -38.42 66.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -79.22 -30.91 43.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.97 16.37 1.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.071 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm 47.23 39.99 9.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.0 mmtm -81.77 160.73 23.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -84.86 -35.75 22.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.1 p30 -167.4 156.03 9.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.0 t -133.07 134.96 45.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.0 t -84.87 134.96 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.091 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.445 HG23 HG13 ' A' ' 63' ' ' ILE . 35.3 m -141.73 141.12 30.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -76.4 104.42 6.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.592 HG22 ' CD2' ' A' ' 64' ' ' HIS . 97.6 mt -114.69 119.54 61.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.592 ' CD2' HG22 ' A' ' 63' ' ' ILE . 11.3 m170 66.73 41.16 3.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 63.93 25.84 14.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.489 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 1.6 pt20 -147.12 126.85 13.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -61.66 134.56 56.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.522 ' CE2' ' CE2' ' A' ' 85' ' ' PHE . 3.5 m-85 -128.79 165.2 21.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 47.3 m -112.16 104.94 13.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.121 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.433 HG22 ' HB2' ' A' ' 77' ' ' ALA . 85.6 t -91.95 118.14 36.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 75' ' ' ASN . 3.1 t70 -97.22 122.27 40.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.2 mt -75.54 -41.22 55.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.6 t -42.58 -49.14 5.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.435 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 8.9 t -106.45 -20.43 13.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.118 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.435 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.5 m120 72.53 52.75 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.78 HG23 ' O ' ' A' ' 85' ' ' PHE . 98.5 m -142.54 137.08 29.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.433 ' HB2' HG22 ' A' ' 70' ' ' VAL . . . -95.13 146.47 24.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.478 HG22 ' N ' ' A' ' 79' ' ' ALA . 97.6 m -146.59 156.62 43.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.183 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.478 ' N ' HG22 ' A' ' 78' ' ' THR . . . -147.72 154.05 43.72 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.525 0.679 . . . . 0.0 111.179 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 1.18 4.65 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.66 2.24 . . . . 0.0 112.373 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -86.52 -39.08 16.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.403 ' C ' ' OE1' ' A' ' 83' ' ' GLN . . . 125.91 34.94 0.61 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.403 ' OE1' ' C ' ' A' ' 82' ' ' GLY . 2.7 mp0 -133.92 136.54 44.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.895 0.379 . . . . 0.0 110.868 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 43.7 p -137.35 141.25 41.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.78 ' O ' HG23 ' A' ' 76' ' ' THR . 0.9 OUTLIER -134.21 173.84 11.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.8 m -117.15 124.78 49.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.174 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.426 HG22 ' C ' ' A' ' 75' ' ' ASN . 2.9 m -97.22 136.86 26.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.136 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.594 ' HG3' HD11 ' A' ' 90' ' ' LEU . 12.2 pt20 -131.33 139.16 49.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.51 ' HG3' ' CE2' ' A' ' 29' ' ' TRP . 36.3 ttt180 -101.86 131.04 48.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.594 HD11 ' HG3' ' A' ' 88' ' ' GLN . 1.1 mp -136.42 122.47 20.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.6 p -81.31 147.96 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.091 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.441 ' HE3' ' CD ' ' A' ' 28' ' ' GLU . 35.7 mmtt -122.33 94.46 4.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.888 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -108.54 156.47 19.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 73.2 m -85.75 148.63 25.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -157.11 87.55 0.12 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.494 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 97' ' ' SER . 53.5 Cg_endo -69.78 1.82 4.1 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.351 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 96' ' ' PRO . 5.6 t -36.64 -46.69 0.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.6 p -80.71 -45.48 17.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.513 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.8 m -153.2 169.3 23.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.863 0.363 . . . . 0.0 110.904 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.9 m -109.36 172.28 6.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.66 -69.8 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.461 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.1 m 40.86 42.19 1.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.838 0.351 . . . . 0.0 110.838 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -108.09 -58.35 1.99 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.26 46.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.467 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -43.98 134.44 4.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.782 0.325 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.8 m -117.54 42.15 2.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.7 mm -79.98 119.5 29.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.1 ptt-85 -55.34 175.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.635 HD23 ' H ' ' A' ' 12' ' ' LEU . 1.3 pt? -47.73 144.09 3.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.25 -55.28 6.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.94 139.05 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -82.35 -43.17 17.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -49.06 -21.97 0.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -40.9 -39.71 1.21 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.3 t -42.48 -44.88 4.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.821 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -75.86 -44.97 38.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.77 -47.06 42.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.74 ' O ' HG23 ' A' ' 25' ' ' THR . 1.5 p30 -73.37 -41.5 63.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.58 ' O ' ' CE2' ' A' ' 26' ' ' TYR . 30.3 t80 -48.16 -44.04 32.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.493 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 21.3 mt -79.19 -54.38 11.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.147 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 25' ' ' THR . 45.3 m -38.6 -48.56 1.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.74 HG23 ' O ' ' A' ' 21' ' ' ASP . 81.9 p -37.33 -43.39 0.54 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.135 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.58 ' CE2' ' O ' ' A' ' 22' ' ' TYR . 2.3 p90 -118.74 103.55 9.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.911 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.6 p -154.03 143.42 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.148 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.531 ' O ' HD12 ' A' ' 90' ' ' LEU . 4.9 tp10 -126.39 107.54 10.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.474 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 48.3 m95 -94.96 121.86 37.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -126.35 149.59 49.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.568 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 26.4 p90 -118.25 141.44 48.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.6 HG13 HG23 ' A' ' 37' ' ' THR . 2.1 mp -96.49 109.43 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.129 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' A' ' 36' ' ' ILE . 18.2 t70 -76.18 167.53 21.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.809 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.503 ' C ' ' O ' ' A' ' 33' ' ' ASP . 33.2 mmtt -29.72 -73.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -120.25 17.77 12.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.514 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.7 mp -132.33 154.17 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.6 HG23 HG13 ' A' ' 32' ' ' ILE . 16.9 m -123.13 98.13 5.74 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -110.72 177.78 4.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.5 p -129.2 154.03 47.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 31' ' ' TYR . 96.1 m-85 -71.76 172.59 9.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.87 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.68 -179.45 7.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -71.03 -35.5 72.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 42.8 mmm -72.58 -45.72 57.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.846 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.5 m -74.69 -38.86 62.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.149 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -40.24 -40.2 1.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.514 ' O ' HG13 ' A' ' 50' ' ' VAL . 7.2 ptp -81.54 -39.63 24.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.402 ' C ' HG22 ' A' ' 50' ' ' VAL . 51.4 mttm -47.89 -28.83 2.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.486 HD23 HG21 ' A' ' 59' ' ' THR . 81.7 mt -83.75 -59.56 2.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.507 ' CG ' ' N ' ' A' ' 50' ' ' VAL . 4.8 pt-20 -48.5 -48.98 37.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.514 HG13 ' O ' ' A' ' 46' ' ' MET . 34.7 m -46.84 -44.72 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.489 ' N ' HG23 ' A' ' 50' ' ' VAL . . . -68.85 -34.54 75.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.059 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.599 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 8.9 t90 -70.64 -29.23 65.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -87.09 -29.86 21.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.4 11.93 5.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm 56.3 38.44 29.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -75.62 175.37 8.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.94 -31.48 8.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -171.47 143.14 1.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.486 HG21 HD23 ' A' ' 48' ' ' LEU . 9.9 t -121.99 130.76 53.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.7 t -85.02 138.34 19.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.5 m -145.06 155.99 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.093 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -85.36 110.74 19.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.543 HG22 ' CD2' ' A' ' 64' ' ' HIS . 96.7 mt -123.02 123.86 68.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.543 ' CD2' HG22 ' A' ' 63' ' ' ILE . 13.5 m170 64.37 27.17 13.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 74.76 28.36 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.474 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.7 pt20 -147.12 134.77 21.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -62.2 129.04 38.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.648 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.9 m-85 -129.35 153.69 47.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 44.8 m -104.85 108.1 19.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.409 HG11 HD22 ' A' ' 48' ' ' LEU . 98.4 t -91.42 109.34 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -86.95 121.15 29.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.42 HD11 ' HB1' ' A' ' 51' ' ' ALA . 7.7 mt -74.99 -42.45 57.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.6 t -45.58 -54.2 7.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.4 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 8.2 t -96.79 -18.79 19.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.414 ' C ' HG22 ' A' ' 87' ' ' VAL . 1.3 m120 68.3 46.72 1.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.825 HG23 ' O ' ' A' ' 85' ' ' PHE . 97.5 m -138.89 136.11 35.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.85 147.19 23.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.785 HG23 HG22 ' A' ' 84' ' ' THR . 8.3 m -148.68 146.98 28.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.648 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -137.95 153.1 73.32 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.546 0.689 . . . . 0.0 111.122 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 2.8 3.19 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.247 . . . . 0.0 112.343 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 57.3 mm-40 -87.39 -35.92 18.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 124.38 33.75 0.75 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -134.98 141.43 46.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.351 . . . . 0.0 110.93 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.785 HG22 HG23 ' A' ' 78' ' ' THR . 30.2 p -142.3 141.73 32.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.173 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.825 ' O ' HG23 ' A' ' 76' ' ' THR . 1.0 OUTLIER -132.41 175.11 9.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.849 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.9 m -120.39 124.24 45.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.172 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.414 HG22 ' C ' ' A' ' 75' ' ' ASN . 2.7 m -97.14 136.07 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.461 ' HG3' HD11 ' A' ' 90' ' ' LEU . 9.0 pt20 -126.12 135.74 52.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.474 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 44.4 ttt-85 -95.9 128.95 43.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 28' ' ' GLU . 0.8 OUTLIER -131.85 143.7 50.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.9 p -102.58 140.16 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? -99.35 169.79 9.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -171.21 158.78 5.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.083 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 35.8 m -116.29 113.69 23.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.404 ' HA3' ' HD2' ' A' ' 96' ' ' PRO . . . -61.48 -141.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.46 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.404 ' HD2' ' HA3' ' A' ' 95' ' ' GLY . 53.2 Cg_endo -69.8 86.66 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.653 2.235 . . . . 0.0 112.358 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.5 t -50.02 103.39 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 73.9 m -64.01 109.91 1.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.473 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.2 m -70.43 -47.44 60.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.825 0.345 . . . . 0.0 110.848 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.2 t -162.85 132.95 4.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.87 149.58 5.37 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.8 p -78.51 114.93 17.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.912 0.387 . . . . 0.0 110.85 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.5 t -44.59 111.48 0.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.73 -101.48 0.53 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.52 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.38 175.99 7.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.3 t -104.99 84.66 2.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.6 pt -109.25 39.91 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.127 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.4 mtt85 -108.09 175.66 5.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.8 mt -91.45 146.05 24.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.52 47.06 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.077 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.3 tmtm? -134.71 98.09 3.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -89.57 -37.38 14.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 18' ' ' SER . 47.9 mmtt -39.76 -32.06 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 16' ' ' LYS . 4.4 pt-20 -37.69 -28.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 16' ' ' LYS . 47.2 p -50.29 -48.92 54.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.901 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 20' ' ' ALA . 16.0 pt20 -85.91 -39.08 17.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 19' ' ' GLN . . . -35.99 -47.72 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 22' ' ' TYR . 0.9 OUTLIER -61.58 -52.4 64.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.443 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 5.3 t80 -37.45 -45.47 0.72 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.6 mt -62.79 -51.37 72.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 25' ' ' THR . 50.0 m -59.07 -40.33 84.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.457 ' C ' ' O ' ' A' ' 24' ' ' SER . 0.2 OUTLIER -32.95 -41.69 0.07 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.136 -179.899 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -119.09 102.89 9.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.5 p -154.11 153.32 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.537 ' O ' HD12 ' A' ' 90' ' ' LEU . 10.8 tt0 -134.77 106.08 6.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.511 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 47.6 m95 -97.67 121.99 40.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -124.86 153.16 43.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.95 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 20.5 p90 -121.67 139.63 53.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.903 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.525 HG13 HG23 ' A' ' 37' ' ' THR . 2.1 mp -94.06 108.03 20.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.124 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 36' ' ' ILE . 17.9 t70 -73.85 167.43 21.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.824 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.513 ' C ' ' O ' ' A' ' 33' ' ' ASP . 4.4 mmmm -28.95 -70.18 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -124.91 19.05 8.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.524 ' N ' HD12 ' A' ' 36' ' ' ILE . 3.5 mp -132.47 150.82 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.525 HG23 HG13 ' A' ' 32' ' ' ILE . 15.5 m -120.41 102.95 8.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -115.53 179.07 4.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.958 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.2 m -117.99 161.29 20.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.567 ' CD2' ' CD1' ' A' ' 48' ' ' LEU . 38.3 m-85 -79.78 158.3 26.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 43' ' ' MET . 1.0 OUTLIER -75.43 138.83 41.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 41' ' ' ASP . 18.2 ptpt -36.59 -29.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.506 ' N ' ' O ' ' A' ' 41' ' ' ASP . 87.5 mmm -74.12 -48.53 28.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 41' ' ' ASP . 88.6 m -72.54 -38.5 67.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 44' ' ' THR . 2.6 t-20 -36.8 -39.19 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.81 ' O ' HG13 ' A' ' 50' ' ' VAL . 4.6 ptp -85.46 -39.17 17.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 44' ' ' THR . 14.6 mtpt -54.51 -20.59 8.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.567 ' CD1' ' CD2' ' A' ' 40' ' ' PHE . 74.8 mt -95.65 -50.18 5.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.453 ' C ' ' OE1' ' A' ' 49' ' ' GLU . 0.8 OUTLIER -59.79 -34.63 73.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.81 HG13 ' O ' ' A' ' 46' ' ' MET . 30.0 m -56.95 -42.03 78.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.456 ' HB1' ' HB2' ' A' ' 56' ' ' LYS . . . -74.48 -30.57 61.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.543 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 10.1 t90 -71.09 -32.09 68.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -85.29 -30.49 23.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -83.13 15.72 2.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.088 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.4 mtpt 51.69 37.65 20.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.456 ' HB2' ' HB1' ' A' ' 51' ' ' ALA . 11.2 mmmt -76.8 166.82 22.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.25 -33.34 12.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -165.18 148.84 8.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.567 HG21 ' HA ' ' A' ' 48' ' ' LEU . 13.0 t -131.35 130.45 42.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 31.1 t -85.81 140.61 15.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.454 HG23 HG13 ' A' ' 63' ' ' ILE . 27.3 m -144.14 155.12 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 -83.69 106.78 15.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.591 HG22 ' CD2' ' A' ' 64' ' ' HIS . 85.7 mt -120.13 121.03 64.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.591 ' CD2' HG22 ' A' ' 63' ' ' ILE . 11.1 m170 64.04 36.59 9.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 66.59 25.87 9.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.469 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 1.2 pt20 -146.17 128.7 16.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.0 p-10 -61.81 132.28 52.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.525 ' CE2' ' CE2' ' A' ' 85' ' ' PHE . 4.1 m-85 -129.22 152.13 49.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.7 m -100.66 107.83 19.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.511 HG22 ' HB2' ' A' ' 77' ' ' ALA . 69.1 t -94.59 114.58 31.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.117 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 75' ' ' ASN . 1.6 t70 -92.02 123.43 35.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.7 mt -74.92 -43.25 55.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 t -41.54 -52.33 3.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.459 ' C ' ' OD1' ' A' ' 75' ' ' ASN . 11.0 t -102.42 -18.97 15.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.108 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.459 ' OD1' ' C ' ' A' ' 74' ' ' THR . 1.1 m120 69.82 51.81 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.858 HG23 ' O ' ' A' ' 85' ' ' PHE . 99.2 m -141.08 137.2 32.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.161 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.511 ' HB2' HG22 ' A' ' 70' ' ' VAL . . . -93.24 149.76 20.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.118 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.632 HG23 HG22 ' A' ' 84' ' ' THR . 16.4 m -151.61 148.83 28.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.203 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.501 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -139.01 153.5 71.72 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.558 0.695 . . . . 0.0 111.11 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 3.51 2.74 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.659 2.24 . . . . 0.0 112.339 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -89.53 -36.76 15.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.34 35.29 0.62 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -133.4 139.23 46.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.361 . . . . 0.0 110.904 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.632 HG22 HG23 ' A' ' 78' ' ' THR . 43.4 p -139.04 144.52 38.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.138 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.858 ' O ' HG23 ' A' ' 76' ' ' THR . 1.4 m-85 -138.77 175.08 9.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 33.0 m -119.71 124.37 46.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.178 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.501 HG12 ' HE2' ' A' ' 40' ' ' PHE . 3.9 m -97.56 133.32 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.186 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.464 ' HG3' HD11 ' A' ' 90' ' ' LEU . 9.5 pt20 -126.89 140.74 52.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.511 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 35.7 ttt-85 -97.32 132.91 42.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.537 HD12 ' O ' ' A' ' 28' ' ' GLU . 1.3 mp -135.05 143.61 46.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 95.4 t -109.6 123.53 65.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.8 mmpt? -80.26 85.07 5.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -81.85 39.97 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 77.8 p -109.98 125.47 52.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.846 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -56.42 141.84 40.86 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 1.42 4.44 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.667 2.245 . . . . 0.0 112.333 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.3 m 61.49 42.49 11.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 82.8 p -79.75 170.17 16.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.4 m -81.14 138.04 35.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 0.0 110.827 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.3 p -84.67 -48.59 9.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.66 -64.34 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.465 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -146.87 119.73 8.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.891 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.0 t -58.4 132.86 54.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.3 91.03 0.12 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.63 152.46 20.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.783 0.325 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.689 ' HB3' HD12 ' A' ' 10' ' ' ILE . 1.9 t -95.3 158.15 15.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.689 HD12 ' HB3' ' A' ' 9' ' ' SER . 4.3 mp 57.24 51.94 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -77.32 84.14 3.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.567 ' O ' HD12 ' A' ' 12' ' ' LEU . 3.8 pp -43.73 149.03 0.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.79 -175.09 2.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.111 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.74 15.98 1.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -85.39 -50.67 7.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 17' ' ' GLU . 18.4 tptt -64.81 -5.57 6.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 16' ' ' LYS . 20.7 mm-40 -37.76 -36.34 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 19' ' ' GLN . 13.9 t -45.46 -44.88 12.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 18' ' ' SER . 7.9 pt20 -35.57 -39.52 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.72 -56.7 17.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.497 ' O ' HG22 ' A' ' 25' ' ' THR . 8.2 m-20 -71.04 -41.88 70.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -52.38 -33.49 43.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.421 ' HA ' ' CE1' ' A' ' 26' ' ' TYR . 23.6 mt -94.35 -56.82 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.154 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 26' ' ' TYR . 11.0 m -49.82 -42.43 47.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.671 HG23 ' HD1' ' A' ' 26' ' ' TYR . 2.6 t -33.6 -33.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.671 ' HD1' HG23 ' A' ' 25' ' ' THR . 55.6 p90 -125.14 105.1 8.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.579 HG11 ' CD ' ' A' ' 49' ' ' GLU . 14.6 p -154.22 158.12 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.159 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.475 ' N ' HG22 ' A' ' 27' ' ' VAL . 16.2 tp10 -134.8 118.55 17.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.494 ' CE2' ' HG3' ' A' ' 89' ' ' ARG . 41.0 m95 -115.13 119.77 37.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.451 ' HG2' ' CB ' ' A' ' 39' ' ' CYS . 42.7 mt-30 -123.78 154.38 39.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.567 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 22.7 p90 -119.58 140.32 50.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.554 HG13 HG23 ' A' ' 37' ' ' THR . 2.4 mp -95.4 107.74 20.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.16 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 36' ' ' ILE . 6.8 t70 -73.74 167.62 21.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.505 ' C ' ' O ' ' A' ' 33' ' ' ASP . 7.9 mtmp? -28.63 -72.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -122.29 18.42 10.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 33' ' ' ASP . 3.3 mp -132.17 150.61 33.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.185 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.554 HG23 HG13 ' A' ' 32' ' ' ILE . 21.2 m -120.83 106.03 11.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -121.05 171.21 8.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.451 ' CB ' ' HG2' ' A' ' 30' ' ' GLN . 29.0 p -113.23 160.2 18.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.567 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 45.1 m-85 -78.38 173.79 11.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -71.58 164.2 26.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.3 ptpt -61.96 -25.7 67.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 91.1 mmm -89.5 -43.37 10.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 45' ' ' ASN . 91.9 m -66.76 -40.69 88.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.426 ' CG ' ' N ' ' A' ' 46' ' ' MET . 1.1 p-10 -37.78 -47.81 1.04 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.476 ' O ' HG22 ' A' ' 50' ' ' VAL . 7.2 ptp -75.12 -37.46 61.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.1 mttt -50.58 -18.67 0.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.544 HD22 HG11 ' A' ' 70' ' ' VAL . 75.9 mt -96.07 -39.21 9.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.579 ' CD ' HG11 ' A' ' 27' ' ' VAL . 6.9 pt-20 -66.7 -40.09 88.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.938 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' ' 46' ' ' MET . 11.6 m -56.69 -34.97 43.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.506 ' CB ' HD11 ' A' ' 72' ' ' LEU . . . -76.71 -30.73 56.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.545 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 10.9 t90 -74.34 -30.31 61.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -88.16 -29.44 20.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.3 17.09 1.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.3 mtpt 51.21 39.05 22.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.9 mmtp -83.53 164.24 19.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.949 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.56 -34.52 12.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -165.2 151.86 10.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.6 t -130.11 131.42 45.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.151 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.2 t -84.43 137.33 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.441 HG23 HG13 ' A' ' 63' ' ' ILE . 30.4 m -144.24 149.33 17.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -79.28 104.54 9.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.488 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 67.4 mt -117.21 121.98 68.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.403 ' O ' ' HB2' ' A' ' 65' ' ' ASN . 13.7 m170 63.15 38.96 10.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 64' ' ' HIS . 3.7 m-20 64.35 26.75 13.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.488 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 2.5 pt20 -147.08 131.35 17.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.954 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -61.73 131.23 49.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.684 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.7 m-85 -129.29 152.21 49.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 56.0 m -102.83 108.77 20.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.544 HG11 HD22 ' A' ' 48' ' ' LEU . 74.4 t -92.7 110.76 23.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 75' ' ' ASN . 7.1 t0 -89.39 116.92 27.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.506 HD11 ' CB ' ' A' ' 51' ' ' ALA . 10.3 mt -72.4 -43.45 63.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 m -42.58 -52.48 4.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.816 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.4 t -100.75 -16.24 17.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.127 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.47 ' C ' HG22 ' A' ' 87' ' ' VAL . 1.4 m120 67.06 52.6 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.842 HG23 ' O ' ' A' ' 85' ' ' PHE . 97.7 m -143.87 135.55 26.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.79 150.28 20.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.791 HG23 HG22 ' A' ' 84' ' ' THR . 7.3 m -152.04 147.41 26.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.141 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.684 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -137.72 153.5 74.05 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.537 0.684 . . . . 0.0 111.089 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 2.26 3.7 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.66 2.24 . . . . 0.0 112.316 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -86.2 -37.69 18.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.81 36.36 0.55 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.489 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -138.01 140.27 40.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.791 HG22 HG23 ' A' ' 78' ' ' THR . 22.7 p -139.57 144.1 37.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.188 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.842 ' O ' HG23 ' A' ' 76' ' ' THR . 1.1 m-85 -136.25 175.03 9.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.6 m -118.1 125.46 50.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.184 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.47 HG22 ' C ' ' A' ' 75' ' ' ASN . 3.7 m -97.32 139.22 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.637 ' HG3' HD11 ' A' ' 90' ' ' LEU . 17.4 pt20 -130.7 135.61 47.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.494 ' HG3' ' CE2' ' A' ' 29' ' ' TRP . 44.5 ttt180 -98.0 127.13 43.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.637 HD11 ' HG3' ' A' ' 88' ' ' GLN . 1.0 OUTLIER -130.18 141.16 50.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.4 p -90.89 140.03 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? -100.48 137.47 38.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -126.23 -58.04 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.081 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.6 t -41.69 144.34 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 124.4 179.78 15.86 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.504 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 2.73 3.26 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.715 2.276 . . . . 0.0 112.337 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.3 p -68.43 -53.38 23.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 85.3 p -55.44 112.85 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 -179.946 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -123.11 -53.62 1.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.826 0.346 . . . . 0.0 110.833 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 t -148.86 127.86 12.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.46 54.94 0.77 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.4 m -51.04 -56.16 13.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.371 . . . . 0.0 110.852 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -95.99 105.53 17.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.06 -43.95 0.64 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.46 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -171.33 134.48 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 110.86 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.0 p -158.38 113.67 2.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.82 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.6 mm -63.98 -60.55 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.103 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -137.05 161.97 34.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.9 mt -96.42 39.93 1.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.09 80.78 1.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -170.85 166.21 7.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -45.45 -36.2 4.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 17' ' ' GLU . 22.2 mmmt -40.25 -30.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 16' ' ' LYS . 0.5 OUTLIER -37.0 -39.61 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 t -42.58 -46.87 5.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.851 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -39.7 -51.38 2.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.14 -52.59 7.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.064 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.541 ' O ' HG22 ' A' ' 25' ' ' THR . 16.8 t70 -71.22 -38.13 72.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.563 ' O ' ' CE2' ' A' ' 26' ' ' TYR . 12.9 t80 -51.04 -32.68 22.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.509 ' HA ' ' CZ ' ' A' ' 26' ' ' TYR . 22.6 mt -94.67 -54.91 6.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.164 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 26' ' ' TYR . 14.4 m -48.84 -42.46 36.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.979 HG23 ' CD2' ' A' ' 26' ' ' TYR . 1.3 t -33.73 -33.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.979 ' CD2' HG23 ' A' ' 25' ' ' THR . 2.6 p90 -125.23 105.96 9.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.717 HG11 ' OE1' ' A' ' 49' ' ' GLU . 9.6 p -154.13 147.39 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -127.09 127.03 44.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.514 ' CZ2' ' HD2' ' A' ' 89' ' ' ARG . 53.0 m95 -120.98 115.17 22.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -121.77 152.06 39.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.506 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 17.9 p90 -120.79 142.36 49.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.51 HG13 HG23 ' A' ' 37' ' ' THR . 2.2 mp -95.37 108.41 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.523 ' N ' ' O ' ' A' ' 36' ' ' ILE . 25.8 t70 -74.34 167.78 20.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.522 ' C ' ' O ' ' A' ' 33' ' ' ASP . 28.1 mtmm -28.02 -71.61 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -123.97 19.14 9.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' A' ' 33' ' ' ASP . 4.6 mp -132.33 154.35 39.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.51 HG23 HG13 ' A' ' 32' ' ' ILE . 17.1 m -122.44 98.55 5.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.165 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 -112.39 177.36 4.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.7 p -126.64 157.79 38.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.506 ' CE2' ' HB3' ' A' ' 31' ' ' TYR . 89.9 m-85 -78.38 168.23 20.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -79.23 -179.42 6.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.861 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -70.96 -30.81 67.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -75.23 -45.0 43.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 85.2 m -76.47 -37.62 56.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.428 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 2.3 t-20 -42.01 -45.92 4.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.577 ' O ' HG22 ' A' ' 50' ' ' VAL . 8.4 ptp -73.01 -38.81 66.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -50.73 -29.59 11.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.593 HD22 HG11 ' A' ' 70' ' ' VAL . 95.9 mt -84.95 -59.17 2.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.961 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.717 ' OE1' HG11 ' A' ' 27' ' ' VAL . 6.7 pt-20 -48.75 -48.18 41.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 46' ' ' MET . 27.3 m -49.25 -46.82 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.643 ' CB ' HD11 ' A' ' 72' ' ' LEU . . . -65.34 -36.12 83.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.132 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.591 ' O ' ' CE3' ' A' ' 52' ' ' TRP . 9.0 t90 -72.51 -30.55 64.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.47 ' HE3' ' CE3' ' A' ' 52' ' ' TRP . 6.1 mmpt? -82.41 -34.56 28.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.978 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.51 7.86 4.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.0 mttp 62.53 35.6 14.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -81.18 165.93 21.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -98.77 -31.85 11.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -162.42 144.9 11.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.824 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.471 ' HB ' ' CB ' ' A' ' 51' ' ' ALA . 9.1 t -128.36 132.0 48.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.148 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.9 t -81.18 138.15 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.079 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.482 HG23 HG13 ' A' ' 63' ' ' ILE . 33.8 m -145.94 153.58 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -84.72 105.59 15.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.486 ' O ' ' CG ' ' A' ' 66' ' ' GLN . 56.3 mt -119.19 125.64 74.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.106 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 18.0 m170 62.32 30.55 17.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 70.89 27.91 3.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.486 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 0.4 OUTLIER -146.91 135.48 22.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.93 129.07 39.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.643 ' CD1' ' HB2' ' A' ' 79' ' ' ALA . 3.7 m-85 -129.15 154.99 46.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 37.4 m -107.16 106.91 17.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.593 HG11 HD22 ' A' ' 48' ' ' LEU . 85.1 t -90.59 104.7 15.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -81.47 116.53 21.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.643 HD11 ' CB ' ' A' ' 51' ' ' ALA . 6.6 mt -78.0 -37.13 47.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 t -44.76 -37.85 4.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.1 t -120.72 -17.04 8.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.14 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.415 ' CA ' HG23 ' A' ' 87' ' ' VAL . 2.6 m-20 74.51 54.93 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 85' ' ' PHE . 63.4 m -142.46 138.42 31.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -99.74 145.27 27.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.049 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.462 HG23 HG22 ' A' ' 84' ' ' THR . 47.8 m -147.18 145.54 29.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.643 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . . . -136.0 153.1 76.69 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.561 0.696 . . . . 0.0 111.116 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 2.11 3.8 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -86.62 -37.47 18.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.21 32.27 0.8 Allowed Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.458 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -133.67 137.0 45.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.925 0.393 . . . . 0.0 110.857 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.462 HG22 HG23 ' A' ' 78' ' ' THR . 44.8 p -136.79 144.72 43.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.627 ' O ' HG23 ' A' ' 76' ' ' THR . 0.7 OUTLIER -136.25 175.12 9.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 84.2 m -120.4 123.75 43.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.415 HG23 ' CA ' ' A' ' 75' ' ' ASN . 2.6 m -97.06 146.01 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.471 ' HG3' HD11 ' A' ' 90' ' ' LEU . 11.0 pt20 -133.75 144.1 48.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.514 ' HD2' ' CZ2' ' A' ' 29' ' ' TRP . 54.3 ttt-85 -107.52 125.98 51.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.487 ' N ' HD12 ' A' ' 90' ' ' LEU . 0.7 OUTLIER -129.08 122.55 30.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.403 HG12 ' N ' ' A' ' 92' ' ' LYS . 99.3 t -77.97 152.36 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.403 ' N ' HG12 ' A' ' 91' ' ' VAL . 23.1 mttt -135.6 108.33 7.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -169.09 129.21 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 45.9 t -154.13 137.34 15.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -98.97 173.66 26.88 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 118.69 5.83 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 39.5 m -157.21 129.99 7.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.6 p -132.69 102.8 5.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.837 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.444 -179.983 . . . . . . . . 0 0 . 1 stop_ save_